4-CHLORO-3-NITROPHENYL ISOCYANATE(40397-96-4)FT-IR
Molecular FormulaC7H3ClN2O3
Molecular Weight198.56
InChIInChI=1S/C7H3ClN2O3/c8-6-2-1-5(9-4-11)3-7(6)10(12)13/h1-3H
InChIKey ZCPHLSPLEGBTCZ-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(N=C=O)C=C1[N+]([O-])=O
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Mass
MS2001-00862WA
isocyanic acid 4-chloro-3-nitrophenyl ester
C7H3ClN2O3 (Mass of molecular ion: 198)
Source Temperature: 300 °C
Sample Temperature: 260 °C
Reservoir, 70 eV
18.0 2.4
30.0 11.9
37.0 4.4
38.0 6.0
39.0 3.0
44.0 34.7
46.0 1.4
47.0 1.7
49.0 3.9
50.0 5.3
51.0 2.4
52.0 2.4
60.0 1.0
61.0 8.0
62.0 13.2
63.0 8.5
64.0 7.0
65.0 1.1
72.0 2.9
73.0 15.2
74.0 7.4
75.0 5.5
76.0 7.7
77.0 2.1
84.0 2.4
85.0 1.4
86.0 1.7
87.0 4.1
88.0 11.7
89.0 4.9
90.0 4.5
91.0 2.4
97.0 8.8
98.0 5.2
99.0 8.6
100.0 2.2
101.0 2.1
112.0 5.8
114.0 3.4
117.0 1.1
124.0 100.0
125.0 7.3
126.0 38.1
127.0 2.9
128.0 2.7
140.0 54.8
141.0 3.8
142.0 17.7
143.0 1.3
152.0 15.6
153.0 1.4
154.0 5.0
163.0 3.8
168.0 2.7
170.0 1.4
172.0 7.8
174.0 2.5
182.0 1.7
198.0 84.1
199.0 6.9
200.0 27.0
201.0 2.3