CID 84014966

1557475-82-7

Structural Information

Molecular Formula

C₆H₃ClN₂O₂S

SMILES

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

InChI

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

InChIKey

CVBJZSGXEFKQNP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	137.2
[M+Na]+	224.94959	150.7
[M-H]-	200.95309	139.9
[M+NH4]+	219.99419	159.7
[M+K]+	240.92353	147.0
[M+H-H2O]+	184.95763	133.0
[M+HCOO]-	246.95857	151.5
[M+CH3COO]-	260.97422	151.8
[M+Na-2H]-	222.93504	139.1
[M]+	201.95982	143.7
[M]-	201.96092	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe