2,4,6-TRICHLOROPHENYL ISOCYANATE(2505-31-9) IR2
Molecular FormulaC7H2Cl3NO
Molecular Weight222.46
InChIInChI=1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChIKey VDYWXVDWKFAUKE-UHFFFAOYSA-N
SmilesC1(Cl)=CC(Cl)=CC(Cl)=C1N=C=O
-
![](https://www.chemicalbook.com/Spectrum/2505-31-9_MS_1.jpg)
Mass
MS2007-03476WA
isocyanic acid 2,4,6-trichlorophenyl ester
C7H2Cl3NO (Mass of molecular ion: 221)
Source Temperature: 250 °C
Sample Temperature: 20 °C
Direct, 70 eV
18.0 2.2
35.0 1.1
37.0 3.7
38.0 1.1
47.0 3.1
49.0 2.0
50.0 2.5
51.0 2.1
60.0 2.8
61.0 8.0
61.5 1.2
62.0 4.0
63.0 2.7
71.0 2.2
72.0 5.3
73.0 5.8
74.0 3.3
75.0 2.7
76.0 1.6
83.0 2.6
84.0 2.9
85.0 2.0
86.0 4.2
87.0 9.0
88.0 11.7
95.0 1.2
96.0 1.9
96.5 1.0
97.0 3.4
97.5 1.0
98.0 8.8
99.0 1.6
100.0 2.7
106.0 1.4
107.0 4.8
108.0 3.1
109.0 3.6
110.0 2.1
110.5 2.7
111.0 1.1
111.5 2.6
121.0 1.1
122.0 5.8
123.0 1.3
124.0 2.0
131.0 3.0
132.0 1.5
133.0 2.1
134.0 1.0
158.0 71.7
159.0 5.1
160.0 45.9
161.0 3.2
162.0 7.4
167.0 1.4
193.0 14.7
194.0 1.4
195.0 14.5
196.0 1.1
197.0 4.8
221.0 100.0
222.0 7.9
223.0 96.1
224.0 7.6
225.0 30.7
226.0 2.5
227.0 3.4