CID 70918

Chlorosulfonyl isocyanate

Structural Information

Molecular Formula
CClNO3S
SMILES
C(=NS(=O)(=O)Cl)=O
InChI
InChI=1S/CClNO3S/c2-7(5,6)3-1-4
InChIKey
WRJWRGBVPUUDLA-UHFFFAOYSA-N
Compound name
N-(oxomethylidene)sulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

36
References

16927
Patents

140.92874 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.93602 118.4
[M+Na]+ 163.91796 129.2
[M-H]- 139.92146 121.3
[M+NH4]+ 158.96256 141.6
[M+K]+ 179.89190 127.1
[M+H-H2O]+ 123.92600 115.2
[M+HCOO]- 185.92694 136.1
[M+CH3COO]- 199.94259 169.2
[M+Na-2H]- 161.90341 125.4
[M]+ 140.92819 123.4
[M]- 140.92929 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe