2-溴-4,6-二氟苯胺(444-14-4)質(zhì)譜(MS)

產(chǎn)品名稱:2-溴-4,6-二氟苯胺

CAS:444-14-4

分子式:C6H4BrF2N

分子量: 208

InChI:InChI=1S/C6H4BrF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2

InChIKey: WUJKFVGKLTWVSQ-UHFFFAOYSA-N

Smiles:C1(N)=C(F)C=C(F)C=C1Br

Mass

MS-NW-9375          
2-bromo-4,6-difluoroaniline
C6H4BrF2N           (Mass of molecular ion:    207)

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

      28.0       1.6
      31.0       4.8
      37.0       1.2
      50.0       4.7
      51.0       5.3
      52.0       5.0
      55.0       1.0
      56.0       3.0
      57.0       4.7
      61.0       2.4
      62.0       1.9
      63.0       1.1
      63.5       6.3
      64.0       4.2
      70.0       1.1
      75.0       5.7
      76.0       2.9
      77.0       1.1
      78.0       2.4
      79.0       1.2
      80.0       2.7
      81.0       8.5
      82.0       2.8
      83.0       1.1
      99.0       5.3
     100.0      14.7
     101.0      28.1
     102.0       2.7
     103.5       6.3
     104.5       6.0
     107.0       4.2
     108.0      30.3
     109.0       2.7
     126.0       2.6
     127.0      16.0
     128.0      41.2
     129.0       3.8
     179.0       2.9
     181.0       2.8
     206.0       1.8
     207.0     100.0
     208.0       8.9
     209.0      97.6
     210.0       6.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ Br F₂ N	0.034 g : 0.5 ml CDCl₃
2-bromo-4,6-difluoroaniline

    Assign.     Shift(ppm)

      A             7.014
      B             6.793
      C             3.9

     Hz     ppm     Int.

   2809.69   7.031    638
   2807.50   7.025    822
   2807.01   7.024    813
   2804.81   7.019    700
   2801.76   7.011    667
   2799.56   7.006    830
   2799.07   7.004    821
   2796.88   6.999    702
   2728.27   6.827     24
   2725.71   6.821    579
   2722.90   6.814    546
   2720.21   6.807     49
   2717.41   6.800    604
   2714.84   6.794   1000
   2712.28   6.787    580
   2709.84   6.781     56
   2706.67   6.773    586
   2703.86   6.766    555
   1575.93   3.944    483

in CDCl3