CID 53767412

1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₂ClNO₂S₂

SMILES

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

InChI

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

InChIKey

DMFPQQCIQDWBJK-UHFFFAOYSA-N

Compound name

1,3-thiazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
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	132.1
[M+Na]+	205.91077	143.9
[M-H]-	181.91427	135.7
[M+NH4]+	200.95537	154.1
[M+K]+	221.88471	140.0
[M+H-H2O]+	165.91881	128.3
[M+HCOO]-	227.91975	141.9
[M+CH3COO]-	241.93540	171.6
[M+Na-2H]-	203.89622	134.9
[M]+	182.92100	136.6
[M]-	182.92210	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe