6797-79-1

4-氯-2-氟-1-碘苯(6797-79-1)质谱(MS)

产品名称:4-氯-2-氟-1-碘苯

CAS:6797-79-1

分子式:C6H3ClFI

分子量: 256.44

InChI:InChI=1S/C6H3ClFI/c7-4-1-2-6(9)5(8)3-4/h1-3H

InChIKey: RSTFBOIFYXJIMR-UHFFFAOYSA-N

Smiles:C1(I)=CC=C(Cl)C=C1F

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9529          
4-chloro-2-fluoro-1-iodobenzene
C6H3ClFI            (Mass of molecular ion:    256)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       1.6
      37.0       2.3
      38.0       1.4
      49.0       1.2
      50.0       7.6
      61.0       2.9
      62.0       2.4
      63.0       3.4
      68.0       7.7
      69.0       1.7
      73.0       2.7
      74.0       9.2
      75.0       3.4
      92.0       3.3
      93.0      13.4
      94.0      16.5
      95.0       1.3
     109.0      10.3
     110.0       1.0
     111.0       3.3
     127.0       3.5
     128.0       8.1
     129.0      52.3
     130.0       4.0
     131.0      16.2
     132.0       1.1
     256.0     100.0
     257.0       6.6
     258.0      31.7
     259.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Cl F I	0.05 ml : 0.5 ml CDCl₃
4-chloro-2-fluoro-1-iodobenzene

    Assign.     Shift(ppm)

      A             7.623
      B             7.054
      C             6.891

     Hz     ppm     Int.

   3054.57   7.644    892
   3047.73   7.626    933
   3046.14   7.623   1000
   3039.31   7.605    948
   2824.46   7.068    938
   2822.14   7.062    981
   2816.65   7.048    931
   2814.33   7.042    954
   2759.77   6.906    644
   2758.91   6.904    697
   2757.45   6.900    621
   2756.59   6.898    635
   2751.22   6.885    595
   2750.49   6.883    654
   2749.02   6.879    589
   2748.17   6.877    615

in CDCl3