3-氯-4-氟硝基苯(350-30-1)質(zhì)譜(MS)

產(chǎn)品名稱:3-氯-4-氟硝基苯

CAS:350-30-1

分子式:C6H3ClFNO2

分子量: 175.54

InChI:InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

InChIKey: DPHCXXYPSYMICK-UHFFFAOYSA-N

Smiles:C1(F)=CC=C([N+]([O-])=O)C=C1Cl

Mass

MS-NW-8933          
2-chloro-1-fluoro-4-nitrobenzene
C6H3ClFNO2          (Mass of molecular ion:    175)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.4
      30.0      22.1
      31.0       2.3
      37.0       1.1
      38.0       1.2
      50.0      11.1
      51.0       1.5
      56.0       1.9
      57.0       3.8
      61.0       3.0
      62.0       3.6
      63.0       7.6
      67.0       2.4
      68.0      11.5
      69.0       3.4
      73.0       3.6
      74.0      16.7
      75.0       6.5
      81.0       3.4
      82.0       2.0
      84.0       2.5
      85.0       1.5
      86.0       1.0
      91.0       3.3
      92.0       4.7
      93.0      30.4
      94.0      28.1
      95.0       1.9
     103.0       2.7
     108.0       1.8
     109.0      27.6
     110.0       3.0
     111.0       9.1
     117.0      27.7
     118.0       1.7
     119.0       9.2
     128.0       2.9
     129.0     100.0
     130.0       7.6
     131.0      32.0
     132.0       2.1
     145.0      32.7
     146.0       2.1
     147.0      10.6
     159.0       3.2
     161.0       1.0
     175.0      88.0
     176.0       6.2
     177.0      28.7
     178.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ Cl F N O₂	0.045 g : 0.5 ml CDCl₃
2-chloro-1-fluoro-4-nitrobenzene

    Assign.     Shift(ppm)

      A             8.350
      B             8.185
      C             7.332
     
     J(A,B)=2.8HZ
     J(A,C)=0.4HZ
     J(A,F-19)=6.2HZ
     J(B,C)=9.0HZ
     J(B,F-19)=4.1HZ
     J(C,F-19)=7.9HZ

     Hz     ppm     Int.

    752.81   8.406    669
    750.13   8.376    966
    746.63   8.337    692
    743.88   8.306   1000
    741.13   8.276    649
    740.13   8.265    184
    739.69   8.260    169
    738.38   8.245    450
    737.00   8.230    657
    734.25   8.199    415
    732.13   8.175    693
    730.88   8.161    184
    729.38   8.145    578
    728.06   8.130    702
    725.31   8.099    521
    723.63   8.080     97
    664.81   7.424    920
    659.56   7.365    101
    656.94   7.336    976
    656.56   7.331    965
    655.81   7.323    861
    649.88   7.257     94
    647.94   7.235    742
    646.50   7.219    111

in CDCl3