CID 55280305

1226423-91-1

Structural Information

Molecular Formula

C₄H₈Cl₂O₃S

SMILES

C(CS(=O)(=O)Cl)OCCCl

InChI

InChI=1S/C4H8Cl2O3S/c5-1-2-9-3-4-10(6,7)8/h1-4H2

InChIKey

GDNGSUYNGBVHRP-UHFFFAOYSA-N

Compound name

2-(2-chloroethoxy)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.95712 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]+	206.96440	134.7
[M+Na]+	228.94634	144.2
[M-H]-	204.94984	135.4
[M+NH4]+	223.99094	155.5
[M+K]+	244.92028	140.5
[M+H-H2O]+	188.95438	132.5
[M+HCOO]-	250.95532	143.8
[M+CH3COO]-	264.97097	178.3
[M+Na-2H]-	226.93179	138.9
[M]+	205.95657	141.9
[M]-	205.95767	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.