CID 28865

2-chloroethanesulfonic acid

Structural Information

Molecular Formula

C₂H₅ClO₃S

SMILES

C(CCl)S(=O)(=O)O

InChI

InChI=1S/C2H5ClO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)

InChIKey

FXKMTSIKHBYZSZ-UHFFFAOYSA-N

Compound name

2-chloroethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2445
Patents: 143.9648 Da
Monoisotopic Mass: -0.3
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]+	144.97208	121.0
[M+Na]+	166.95402	130.8
[M-H]-	142.95752	121.0
[M+NH4]+	161.99862	143.2
[M+K]+	182.92796	128.0
[M+H-H2O]+	126.96206	118.6
[M+HCOO]-	188.96300	134.2
[M+CH3COO]-	202.97865	164.8
[M+Na-2H]-	164.93947	126.4
[M]+	143.96425	124.9
[M]-	143.96535	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe