CID 13067170

Zinc(ii) chloromethanesulfinate

Structural Information

Molecular Formula
CH3ClO2S
SMILES
C(S(=O)O)Cl
InChI
InChI=1S/CH3ClO2S/c2-1-5(3)4/h1H2,(H,3,4)
InChIKey
BEVGZOULHWKCOS-UHFFFAOYSA-N
Compound name
chloromethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

113.95423 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.96151 113.1
[M+Na]+ 136.94345 122.5
[M-H]- 112.94695 113.1
[M+NH4]+ 131.98805 136.4
[M+K]+ 152.91739 120.3
[M+H-H2O]+ 96.951490 110.6
[M+HCOO]- 158.95243 126.6
[M+CH3COO]- 172.96808 161.2
[M+Na-2H]- 134.92890 117.1
[M]+ 113.95368 115.8
[M]- 113.95478 115.8
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