CID 66221338

1503361-48-5

Structural Information

Molecular Formula

C₃H₂ClNS₂

SMILES

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

InChI

InChI=1S/C3H2ClNS2/c4-2-1-5-3(6)7-2/h1H,(H,5,6)

InChIKey

JMNGCSPEXIYXLA-UHFFFAOYSA-N

Compound name

5-chloro-3H-1,3-thiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 150.93172 Da
Monoisotopic Mass: 1.7
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]+	151.93900	122.0
[M+Na]+	173.92094	134.1
[M-H]-	149.92444	124.2
[M+NH4]+	168.96554	145.0
[M+K]+	189.89488	128.6
[M+H-H2O]+	133.92898	118.5
[M+HCOO]-	195.92992	131.0
[M+CH3COO]-	209.94557	136.3
[M+Na-2H]-	171.90639	122.9
[M]+	150.93117	123.5
[M]-	150.93227	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe