CID 18524013

89756-66-1

Structural Information

Molecular Formula

C₆H₈ClNO₄S

SMILES

C1CC(=O)N(C1=O)CCS(=O)(=O)Cl

InChI

InChI=1S/C6H8ClNO4S/c7-13(11,12)4-3-8-5(9)1-2-6(8)10/h1-4H2

InChIKey

RELWRPQYLYNUPL-UHFFFAOYSA-N

Compound name

2-(2,5-dioxopyrrolidin-1-yl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 224.98625 Da
Monoisotopic Mass: -0.7
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]+	225.99353	143.7
[M+Na]+	247.97547	153.9
[M-H]-	223.97897	146.7
[M+NH4]+	243.02007	163.8
[M+K]+	263.94941	150.6
[M+H-H2O]+	207.98351	139.7
[M+HCOO]-	269.98445	155.9
[M+CH3COO]-	284.00010	180.8
[M+Na-2H]-	245.96092	145.1
[M]+	224.98570	148.0
[M]-	224.98680	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe