CID 3067923

82424-19-9

Structural Information

Molecular Formula
C11H6F3NO3S
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NSC(=C2O)C(=O)O
InChI
InChI=1S/C11H6F3NO3S/c12-11(13,14)6-3-1-2-5(4-6)7-8(16)9(10(17)18)19-15-7/h1-4,16H,(H,17,18)
InChIKey
FORIQZLHSAYXLI-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

289.00204 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00932 163.9
[M+Na]+ 311.99126 171.7
[M+NH4]+ 307.03586 168.1
[M+K]+ 327.96520 168.1
[M-H]- 287.99476 160.2
[M+Na-2H]- 309.97671 166.4
[M]+ 289.00149 163.9
[M]- 289.00259 163.9
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