CID 3067924

82424-94-0

Structural Information

Molecular Formula
C11H6F3NO2S
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NSC(=C2)C(=O)O
InChI
InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)8-5-9(10(16)17)18-15-8/h1-5H,(H,16,17)
InChIKey
JBBMPBUPJGSYJG-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

273.00714 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.01442 160.4
[M+Na]+ 295.99636 168.8
[M+NH4]+ 291.04096 165.4
[M+K]+ 311.97030 164.3
[M-H]- 271.99986 157.5
[M+Na-2H]- 293.98181 164.0
[M]+ 273.00659 160.8
[M]- 273.00769 160.8
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