CID 517179

Sodium 1-chloroethane-1-sulfonate

Structural Information

Molecular Formula
C2H5ClO3S
SMILES
CC(S(=O)(=O)O)Cl
InChI
InChI=1S/C2H5ClO3S/c1-2(3)7(4,5)6/h2H,1H3,(H,4,5,6)
InChIKey
LHORZPMPPHTXFQ-UHFFFAOYSA-N
Compound name
1-chloroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1217
Patents

143.9648 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.97208 120.4
[M+Na]+ 166.95402 129.9
[M-H]- 142.95752 120.5
[M+NH4]+ 161.99862 142.6
[M+K]+ 182.92796 127.6
[M+H-H2O]+ 126.96206 118.1
[M+HCOO]- 188.96300 132.6
[M+CH3COO]- 202.97865 165.6
[M+Na-2H]- 164.93947 124.8
[M]+ 143.96425 123.8
[M]- 143.96535 123.8
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