CID 3031950

886361-94-0

Structural Information

Molecular Formula
C12H8F3NO2S
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-1-2-7(4-8)11-16-9(6-19-11)5-10(17)18/h1-4,6H,5H2,(H,17,18)
InChIKey
WYVJANJHKTZGQY-UHFFFAOYSA-N
Compound name
2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0228 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03008 164.4
[M+Na]+ 310.01202 172.7
[M+NH4]+ 305.05662 169.4
[M+K]+ 325.98596 167.9
[M-H]- 286.01552 161.6
[M+Na-2H]- 307.99747 167.9
[M]+ 287.02225 164.9
[M]- 287.02335 164.9
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

No patent data available for this compound.