CID 66300

Phenyl anthranilate

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C13H11NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H,14H2

InChIKey

ZBFSYQBEXZGTAX-UHFFFAOYSA-N

Compound name

phenyl 2-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 225
Patents: 213.07898 Da
Monoisotopic Mass: 3.0
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]+	214.08626	145.6
[M+Na]+	236.06820	152.7
[M-H]-	212.07170	152.1
[M+NH4]+	231.11280	163.4
[M+K]+	252.04214	149.7
[M+H-H2O]+	196.07624	138.2
[M+HCOO]-	258.07718	170.4
[M+CH3COO]-	272.09283	187.8
[M+Na-2H]-	234.05365	151.6
[M]+	213.07843	144.4
[M]-	213.07953	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe