CID 26597101

4-chloro-3-hydroxy-1,2-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C4H2ClNO3S
SMILES
C1(=C(SNC1=O)C(=O)O)Cl
InChI
InChI=1S/C4H2ClNO3S/c5-1-2(4(8)9)10-6-3(1)7/h(H,6,7)(H,8,9)
InChIKey
UPLKOXZMAVCZOK-UHFFFAOYSA-N
Compound name
4-chloro-3-oxo-1,2-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.9444 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.95168 129.1
[M+Na]+ 201.93362 140.4
[M-H]- 177.93712 130.2
[M+NH4]+ 196.97822 149.9
[M+K]+ 217.90756 136.1
[M+H-H2O]+ 161.94166 125.5
[M+HCOO]- 223.94260 141.8
[M+CH3COO]- 237.95825 169.1
[M+Na-2H]- 199.91907 130.3
[M]+ 178.94385 131.6
[M]- 178.94495 131.6
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

No patent data available for this compound.