CID 69359

Ethyl chlorosulfonate

Structural Information

Molecular Formula

C₂H₅ClO₃S

SMILES

CCOS(=O)(=O)Cl

InChI

InChI=1S/C2H5ClO3S/c1-2-6-7(3,4)5/h2H2,1H3

InChIKey

ASKHTHDBINVNFJ-UHFFFAOYSA-N

Compound name

chlorosulfonyloxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 373
Patents: 143.9648 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]+	144.97208	120.4
[M+Na]+	166.95402	130.6
[M-H]-	142.95752	121.9
[M+NH4]+	161.99862	143.4
[M+K]+	182.92796	128.9
[M+H-H2O]+	126.96206	117.7
[M+HCOO]-	188.96300	135.1
[M+CH3COO]-	202.97865	167.5
[M+Na-2H]-	164.93947	126.3
[M]+	143.96425	126.3
[M]-	143.96535	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe