CID 71328025

91161-32-9

Structural Information

Molecular Formula
C17H14F3NO4
SMILES
CC(C(=O)O)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C17H14F3NO4/c1-10(16(23)24)25-12-6-4-5-11(9-12)21-15(22)13-7-2-3-8-14(13)17(18,19)20/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKey
NQLVQBQVABMALQ-UHFFFAOYSA-N
Compound name
2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

353.0875 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09478 176.5
[M+Na]+ 376.07672 182.3
[M-H]- 352.08022 177.9
[M+NH4]+ 371.12132 187.8
[M+K]+ 392.05066 179.0
[M+H-H2O]+ 336.08476 166.2
[M+HCOO]- 398.08570 192.7
[M+CH3COO]- 412.10135 212.3
[M+Na-2H]- 374.06217 177.1
[M]+ 353.08695 173.2
[M]- 353.08805 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.