CID 120157

N-(2-fluorophenyl)anthranilic acid

Structural Information

Molecular Formula

C₁₃H₁₀FNO₂

SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2F

InChI

InChI=1S/C13H10FNO2/c14-10-6-2-4-8-12(10)15-11-7-3-1-5-9(11)13(16)17/h1-8,15H,(H,16,17)

InChIKey

NKJTXYMGRFCARD-UHFFFAOYSA-N

Compound name

2-(2-fluoroanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 231.06955 Da
Monoisotopic Mass: 4.5
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]+	232.076826	147.7
[M+Na]+	254.058768	155.3
[M-H]-	230.062274	152.2
[M+NH4]+	249.103373	164.4
[M+K]+	270.032708	151.2
[M+H-H2O]+	214.066810	139.7
[M+HCOO]-	276.067751	170.5
[M+CH3COO]-	290.083401	190.5
[M+Na-2H]-	252.044216	153.0
[M]+	231.06900142	145.1
[M]-	231.07009858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe