64248-63-1

3,5-二氟苯甲腈(64248-63-1)质谱(MS)

产品名称:3,5-二氟苯甲腈

CAS:64248-63-1

分子式:C7H3F2N

分子量: 139.1

InChI:InChI=1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

InChIKey: CQXZSEXZQVKCHW-UHFFFAOYSA-N

Smiles:C(#N)C1=CC(F)=CC(F)=C1

Mass

MS-IW-3623          
3,5-difluorobenzonitrile
C7H3F2N             (Mass of molecular ion:    139)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      31.0       3.1
      37.0       1.6
      38.0       1.4
      50.0       2.4
      51.0       1.5
      56.0       1.1
      57.0       3.2
      61.0       1.9
      62.0       2.8
      63.0       2.7
      64.0       1.9
      68.0       3.0
      69.0       1.3
      69.5       2.8
      74.0       1.2
      75.0       4.7
      81.0       1.7
      82.0       1.1
      87.0       1.5
      88.0       9.5
      89.0       3.9
      93.0       1.7
      94.0       3.0
      95.0       1.1
      99.0       1.2
     100.0       1.1
     112.0      14.3
     113.0       3.6
     119.0       2.2
     120.0       1.1
     139.0     100.0
     140.0       8.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₃ F₂ N	0.046 g : 0.5 ml CDCl₃
3,5-difluorobenzonitrile

    Assign.     Shift(ppm)

      A             7.231
      B             7.117

     Hz     ppm     Int.

   2902.71   7.264     54
   2900.51   7.258    119
   2898.07   7.252     93
   2894.41   7.243    814
   2893.19   7.240    650
   2892.09   7.237   1000
   2890.87   7.234    708
   2889.40   7.230    609
   2887.94   7.227    915
   2887.08   7.225    718
   2885.50   7.221    888
   2881.84   7.211    101
   2879.64   7.206    134
   2877.32   7.200     64
   2855.22   7.145    238
   2852.91   7.139    382
   2850.59   7.133    187
   2846.56   7.123    472
   2844.24   7.117    776
   2841.92   7.112    366
   2837.89   7.101    246
   2835.57   7.096    398
   2833.25   7.090    191

KBr disc