2,2,3-TRICHLOROPROPIONITRILE(813-74-1) MS
Molecular FormulaC3H2Cl3N
Molecular Weight158.41
InChIInChI=1S/C3H2Cl3N/c4-1-3(5,6)2-7/h1H2
InChIKey XMVOGXZDRUZXAP-UHFFFAOYSA-N
SmilesC(#N)C(Cl)(Cl)CCl
-

Mass
MS-IW-3583
2,2,3-trichloropropionitrile
C3H2Cl3N (Mass of molecular ion: 157)
Source Temperature: 220 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
24.0 1.0
25.0 3.1
26.0 8.5
27.0 1.5
28.0 8.1
35.0 4.7
36.0 4.1
37.0 2.4
38.0 2.8
44.0 2.4
47.0 4.9
48.0 1.5
49.0 100.0
50.0 4.4
51.0 66.3
52.0 20.8
53.0 2.2
54.0 8.1
60.0 6.0
61.0 7.9
62.0 9.5
63.0 2.5
64.0 2.3
73.0 1.6
85.0 2.3
86.0 33.6
87.0 11.7
88.0 11.6
89.0 5.7
95.0 7.1
96.0 21.4
97.0 5.0
98.0 13.5
99.0 1.0
100.0 2.1
108.0 11.1
110.0 6.9
112.0 1.1
120.0 1.2
121.0 1.8
122.0 97.7
123.0 4.7
124.0 62.2
125.0 2.5
126.0 10.2
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1H NMR |
300 MHz |
C3 H2 Cl3 N
|
0.05 ml : 0.5 ml CDCl3
|
2,2,3-trichloropropionitrile
|
 |
Parameter ppm Hz
D(A) 4.181
|
Hz ppm Int.
1254.30 4.181 1000