CID 67282083

1732-46-3

Structural Information

Molecular Formula
C10H7NO2S
SMILES
C1=CC=C(C=C1)C2=CC(=NS2)C(=O)O
InChI
InChI=1S/C10H7NO2S/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey
XHLZFLBTMYRLKD-UHFFFAOYSA-N
Compound name
5-phenyl-1,2-thiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

205.01974 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02702 141.5
[M+Na]+ 228.00896 150.8
[M-H]- 204.01246 146.6
[M+NH4]+ 223.05356 160.8
[M+K]+ 243.98290 147.2
[M+H-H2O]+ 188.01700 135.2
[M+HCOO]- 250.01794 159.9
[M+CH3COO]- 264.03359 178.9
[M+Na-2H]- 225.99441 143.7
[M]+ 205.01919 143.0
[M]- 205.02029 143.0
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