CID 445155

2-((2-(trifluoromethyl)phenyl)amino)benzoic acid

Structural Information

Molecular Formula

C₁₄H₁₀F₃NO₂

SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H10F3NO2/c15-14(16,17)10-6-2-4-8-12(10)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)

InChIKey

ONKHJNFXJDEMNQ-UHFFFAOYSA-N

Compound name

2-[2-(trifluoromethyl)anilino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 61
Patents: 281.06638 Da
Monoisotopic Mass: 5.2
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]+	282.07366	158.3
[M+Na]+	304.05560	166.0
[M-H]-	280.05910	160.1
[M+NH4]+	299.10020	172.9
[M+K]+	320.02954	161.3
[M+H-H2O]+	264.06364	148.7
[M+HCOO]-	326.06458	177.0
[M+CH3COO]-	340.08023	198.7
[M+Na-2H]-	302.04105	162.5
[M]+	281.06583	153.1
[M]-	281.06693	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe