CID 721582

6-chloroimidazo[2,1-b]thiazole

Structural Information

Molecular Formula

C₅H₃ClN₂S

SMILES

C1=CSC2=NC(=CN21)Cl

InChI

InChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H

InChIKey

WOZMDYAJHVHPMD-UHFFFAOYSA-N

Compound name

6-chloroimidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 295
Patents: 157.97055 Da
Monoisotopic Mass: 2.8
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]+	158.97783	126.5
[M+Na]+	180.95977	140.7
[M-H]-	156.96327	130.2
[M+NH4]+	176.00437	151.6
[M+K]+	196.93371	137.3
[M+H-H2O]+	140.96781	121.8
[M+HCOO]-	202.96875	143.1
[M+CH3COO]-	216.98440	142.4
[M+Na-2H]-	178.94522	130.7
[M]+	157.97000	132.5
[M]-	157.97110	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe