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

398
Patents

128.96513 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.97241 118.1
[M+Na]+ 151.95435 127.9
[M-H]- 127.95785 119.0
[M+NH4]+ 146.99895 141.0
[M+K]+ 167.92829 125.3
[M+H-H2O]+ 111.96239 115.2
[M+HCOO]- 173.96333 133.1
[M+CH3COO]- 187.97898 166.4
[M+Na-2H]- 149.93980 123.5
[M]+ 128.96458 120.2
[M]- 128.96568 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