CID 16228943

2-chloro-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula

C₃HCl₂NO₂S₂

SMILES

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

InChI

InChI=1S/C3HCl2NO2S2/c4-3-6-1-2(9-3)10(5,7)8/h1H

InChIKey

QQXPCBIWAJSOPB-UHFFFAOYSA-N

Compound name

2-chloro-1,3-thiazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 216.88258 Da
Monoisotopic Mass: 2.3
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]+	217.88986	137.8
[M+Na]+	239.87180	150.2
[M-H]-	215.87530	141.3
[M+NH4]+	234.91640	158.9
[M+K]+	255.84574	145.2
[M+H-H2O]+	199.87984	134.9
[M+HCOO]-	261.88078	142.4
[M+CH3COO]-	275.89643	177.4
[M+Na-2H]-	237.85725	139.2
[M]+	216.88203	143.1
[M]-	216.88313	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe