CID 10583609

4-thiazolesulfonyl chloride

Structural Information

Molecular Formula

C₃H₂ClNO₂S₂

SMILES

C1=C(N=CS1)S(=O)(=O)Cl

InChI

InChI=1S/C3H2ClNO2S2/c4-9(6,7)3-1-8-2-5-3/h1-2H

InChIKey

QBBJFQBYISAYRW-UHFFFAOYSA-N

Compound name

1,3-thiazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 182.92155 Da
Monoisotopic Mass: 1.3
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]+	183.92883	135.8
[M+Na]+	205.91077	146.8
[M+NH4]+	200.95537	144.5
[M+K]+	221.88471	139.5
[M-H]-	181.91427	135.9
[M+Na-2H]-	203.89622	139.8
[M]+	182.92100	138.5
[M]-	182.92210	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe