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]+ 354.094776 176.5
[M+Na]+ 376.076718 182.3
[M-H]- 352.080224 177.9
[M+NH4]+ 371.121323 187.8
[M+K]+ 392.050658 179.0
[M+H-H2O]+ 336.084760 166.2
[M+HCOO]- 398.085701 192.7
[M+CH3COO]- 412.101351 212.3
[M+Na-2H]- 374.062166 177.1
[M]+ 353.08695142 173.2
[M]- 353.08804858 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.