CID 167979

Chloromethanesulfonamide

Structural Information

Molecular Formula
CH4ClNO2S
SMILES
C(S(=O)(=O)N)Cl
InChI
InChI=1S/CH4ClNO2S/c2-1-6(3,4)5/h1H2,(H2,3,4,5)
InChIKey
AVXHCUKQISJQBN-UHFFFAOYSA-N
Compound name
chloromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

421
Patents

128.96513 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.972406 118.1
[M+Na]+ 151.954348 127.9
[M-H]- 127.957854 119.0
[M+NH4]+ 146.998953 141.0
[M+K]+ 167.928288 125.3
[M+H-H2O]+ 111.962390 115.2
[M+HCOO]- 173.963331 133.1
[M+CH3COO]- 187.978981 166.4
[M+Na-2H]- 149.939796 123.5
[M]+ 128.96458142 120.2
[M]- 128.96567858 120.2
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