CID 114452

Ethanesulfonic acid, 2-chloro-1-hydroxy-, sodium salt (1:1)

Structural Information

Molecular Formula
C2H5ClO4S
SMILES
C(C(O)S(=O)(=O)O)Cl
InChI
InChI=1S/C2H5ClO4S/c3-1-2(4)8(5,6)7/h2,4H,1H2,(H,5,6,7)
InChIKey
HJNWYGLPGLWUEV-UHFFFAOYSA-N
Compound name
2-chloro-1-hydroxyethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

159.9597 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.96698 123.7
[M+Na]+ 182.94892 132.6
[M-H]- 158.95242 122.2
[M+NH4]+ 177.99352 144.4
[M+K]+ 198.92286 129.8
[M+H-H2O]+ 142.95696 121.4
[M+HCOO]- 204.95790 134.6
[M+CH3COO]- 218.97355 165.1
[M+Na-2H]- 180.93437 127.7
[M]+ 159.95915 126.6
[M]- 159.96025 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe