CID 16228937

2-oxo-2,3-dihydro-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₂ClNO₃S₂

SMILES

C1=C(SC(=O)N1)S(=O)(=O)Cl

InChI

InChI=1S/C3H2ClNO3S2/c4-10(7,8)2-1-5-3(6)9-2/h1H,(H,5,6)

InChIKey

AGRGYLBPATUIHX-UHFFFAOYSA-N

Compound name

2-oxo-3H-1,3-thiazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 198.91646 Da
Monoisotopic Mass: 0.5
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]+	199.92374	139.7
[M+Na]+	221.90568	149.9
[M+NH4]+	216.95028	147.1
[M+K]+	237.87962	143.5
[M-H]-	197.90918	138.5
[M+Na-2H]-	219.89113	142.3
[M]+	198.91591	141.7
[M]-	198.91701	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe