CID 329977

24918-20-5

Structural Information

Molecular Formula

C₆H₃ClN₂O₂S

SMILES

C1=CSC2=NC(=C(N21)C(=O)O)Cl

InChI

InChI=1S/C6H3ClN2O2S/c7-4-3(5(10)11)9-1-2-12-6(9)8-4/h1-2H,(H,10,11)

InChIKey

ORWPTZPSXDLGPG-UHFFFAOYSA-N

Compound name

6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 201.96037 Da
Monoisotopic Mass: 2.7
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]+	202.96765	137.6
[M+Na]+	224.94959	149.7
[M+NH4]+	219.99419	145.9
[M+K]+	240.92353	146.0
[M-H]-	200.95309	137.3
[M+Na-2H]-	222.93504	141.4
[M]+	201.95982	139.7
[M]-	201.96092	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe