CID 135767897

36705-82-5

Structural Information

Molecular Formula
C10H7NO3S
SMILES
C1=CC(=CC=C1C2=NC(=CS2)C(=O)O)O
InChI
InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)9-11-8(5-15-9)10(13)14/h1-5,12H,(H,13,14)
InChIKey
YSKMZPAUCUGNFT-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

221.01466 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02194 144.7
[M+Na]+ 244.00388 154.2
[M-H]- 220.00738 148.7
[M+NH4]+ 239.04848 162.8
[M+K]+ 259.97782 150.2
[M+H-H2O]+ 204.01192 138.8
[M+HCOO]- 266.01286 161.7
[M+CH3COO]- 280.02851 179.7
[M+Na-2H]- 241.98933 146.0
[M]+ 221.01411 146.2
[M]- 221.01521 146.2
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