CID 114452

13064-50-1

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: 25
Patents: 159.9597 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	160.96698	127.9
[M+Na]+	182.94892	136.6
[M+NH4]+	177.99352	134.4
[M+K]+	198.92286	132.3
[M-H]-	158.95242	124.3
[M+Na-2H]-	180.93437	129.2
[M]+	159.95915	128.4
[M]-	159.96025	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe