CID 12424898

Sodium 2-chloroethane-1-sulfinate

Structural Information

Molecular Formula
C2H5ClO2S
SMILES
C(CCl)S(=O)O
InChI
InChI=1S/C2H5ClO2S/c3-1-2-6(4)5/h1-2H2,(H,4,5)
InChIKey
RRSCOUPNURHZBJ-UHFFFAOYSA-N
Compound name
2-chloroethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1547
Patents

127.96988 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.97716 117.6
[M+Na]+ 150.95910 126.6
[M-H]- 126.96260 117.4
[M+NH4]+ 146.00370 140.4
[M+K]+ 166.93304 124.2
[M+H-H2O]+ 110.96714 114.9
[M+HCOO]- 172.96808 130.8
[M+CH3COO]- 186.98373 164.2
[M+Na-2H]- 148.94455 121.2
[M]+ 127.96933 120.7
[M]- 127.97043 120.7
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