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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.967646 137.2
[M+Na]+ 224.949588 150.7
[M-H]- 200.953094 139.9
[M+NH4]+ 219.994193 159.7
[M+K]+ 240.923528 147.0
[M+H-H2O]+ 184.957630 133.0
[M+HCOO]- 246.958571 151.5
[M+CH3COO]- 260.974221 151.8
[M+Na-2H]- 222.935036 139.1
[M]+ 201.95982142 143.7
[M]- 201.96091858 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

No literature data available for this compound.

Patent stripe

patents stripe