CID 187807

Sodium chloromethanesulfonate

Structural Information

Molecular Formula
CH3ClO3S
SMILES
C(S(=O)(=O)O)Cl
InChI
InChI=1S/CH3ClO3S/c2-1-6(3,4)5/h1H2,(H,3,4,5)
InChIKey
HMPHJJBZKIZRHG-UHFFFAOYSA-N
Compound name
chloromethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3532
Patents

129.94914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.95642 116.5
[M+Na]+ 152.93836 126.6
[M-H]- 128.94186 116.6
[M+NH4]+ 147.98296 139.2
[M+K]+ 168.91230 124.1
[M+H-H2O]+ 112.94640 114.2
[M+HCOO]- 174.94734 129.9
[M+CH3COO]- 188.96299 161.7
[M+Na-2H]- 150.92381 122.3
[M]+ 129.94859 120.0
[M]- 129.94969 120.0
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