83558-87-6

2,2-双(3-氨基-4-羟基苯基)六氟丙烷(83558-87-6)质谱(MS)

产品名称:2,2-双(3-氨基-4-羟基苯基)六氟丙烷

CAS:83558-87-6

分子式:C15H12F6N2O2

分子量: 366.26

InChI:InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2

InChIKey: MSTZGVRUOMBULC-UHFFFAOYSA-N

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

Mass

MS-IW-2134          
4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(2-aminophenol)
C15H12F6N2O2        (Mass of molecular ion:    366)

   Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       4.4
      28.0       1.7
      51.0       1.6
      52.0       1.3
      53.0       1.5
      63.0       1.2
      77.0       2.0
      80.0       1.1
      91.0       1.5
      91.5       5.9
      92.0       1.1
      99.0       1.9
      99.5       1.3
     100.0       1.2
     100.5       1.0
     101.5       1.1
     105.0       1.2
     105.5       1.3
     109.0       1.1
     113.5       1.7
     114.0       2.4
     115.0       1.0
     116.0       1.3
     125.5       1.0
     126.0       1.3
     134.0       1.2
     139.5       1.1
     140.0       2.5
     148.0       1.0
     148.5       1.6
     154.0       3.0
     155.0       1.1
     174.0       2.3
     182.0       2.2
     183.0       7.6
     184.0       1.2
     198.0       1.3
     199.0       1.2
     207.0       5.3
     208.0       1.2
     210.0       2.0
     211.0       2.9
     212.0       1.3
     222.0       1.8
     227.0       2.7
     228.0       1.2
     229.0       1.4
     232.0       1.4
     235.0       1.3
     250.0       1.1
     251.0       8.0
     252.0      22.7
     253.0       3.4
     263.0      17.2
     264.0       3.4
     278.0       1.6
     279.0       6.3
     280.0      11.0
     281.0       2.5
     296.0       1.4
     297.0      31.1
     298.0       5.1
     320.0       9.4
     321.0       1.7
     347.0       2.5
     348.0       2.6
     349.0       1.7
     365.0       3.1
     366.0     100.0
     367.0      17.6
     368.0       1.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₁₂ F₆ N₂ O₂	0.054 g : 0.5 ml DMSO-d₆
4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(2-aminophenol)

    Assign.     Shift(ppm)

      A             9.4
      B             6.669
      C             6.595
      D             6.445
      E             4.7

     Hz     ppm     Int.

   3767.09   9.426     65
   2669.83   6.681    822
   2661.44   6.660   1000
   2650.15   6.632     23
   2647.40   6.625     21
   2635.04   6.594    675
   2579.65   6.455    375
   2571.41   6.435    318
   1864.93   4.667    201

in DMSO-d6