CID 161992

5-hydroxyflufenamic acid

Structural Information

Molecular Formula

C₁₄H₁₀F₃NO₃

SMILES

C1=CC(=CC(=C1)NC2=C(C=C(C=C2)O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H10F3NO3/c15-14(16,17)8-2-1-3-9(6-8)18-12-5-4-10(19)7-11(12)13(20)21/h1-7,18-19H,(H,20,21)

InChIKey

HXTLXQUVSUWKKB-UHFFFAOYSA-N

Compound name

5-hydroxy-2-[3-(trifluoromethyl)anilino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 297.06128 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	298.068556	161.4
[M+Na]+	320.050498	169.5
[M-H]-	296.054004	162.2
[M+NH4]+	315.095103	174.9
[M+K]+	336.024438	164.7
[M+H-H2O]+	280.058540	152.1
[M+HCOO]-	342.059481	178.8
[M+CH3COO]-	356.075131	199.8
[M+Na-2H]-	318.035946	164.6
[M]+	297.06073142	156.2
[M]-	297.06182858	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe