CID 329977

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

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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe