CID 15895282

754966-95-5

Structural Information

Molecular Formula

C₄H₄ClNO₂S₂

SMILES

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

InChI

InChI=1S/C4H4ClNO2S2/c5-10(7,8)2-4-1-9-3-6-4/h1,3H,2H2

InChIKey

FAMMKHWQINTCOB-UHFFFAOYSA-N

Compound name

1,3-thiazol-4-ylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 196.9372 Da
Monoisotopic Mass: 0.9
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]+	197.94448	136.5
[M+Na]+	219.92642	147.8
[M-H]-	195.92992	139.8
[M+NH4]+	214.97102	157.9
[M+K]+	235.90036	143.6
[M+H-H2O]+	179.93446	132.4
[M+HCOO]-	241.93540	145.9
[M+CH3COO]-	255.95105	174.5
[M+Na-2H]-	217.91187	138.7
[M]+	196.93665	141.3
[M]-	196.93775	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe