CID 54594427

3-(1,3-thiazol-2-yloxy)benzoic acid

Structural Information

Molecular Formula
C10H7NO3S
SMILES
C1=CC(=CC(=C1)OC2=NC=CS2)C(=O)O
InChI
InChI=1S/C10H7NO3S/c12-9(13)7-2-1-3-8(6-7)14-10-11-4-5-15-10/h1-6H,(H,12,13)
InChIKey
MLQUPWHFFILBPO-UHFFFAOYSA-N
Compound name
3-(1,3-thiazol-2-yloxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.01466 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02194 144.8
[M+Na]+ 244.00388 153.9
[M-H]- 220.00738 149.8
[M+NH4]+ 239.04848 163.3
[M+K]+ 259.97782 150.8
[M+H-H2O]+ 204.01192 138.3
[M+HCOO]- 266.01286 163.4
[M+CH3COO]- 280.02851 181.0
[M+Na-2H]- 241.98933 147.1
[M]+ 221.01411 147.7
[M]- 221.01521 147.7
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

No patent data available for this compound.