CID 189661

N-acetoxy-4-aminobiphenyl

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

CC(=O)ONC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO2/c1-11(16)17-15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,1H3

InChIKey

NRUZSSFWZUVQMS-UHFFFAOYSA-N

Compound name

(4-phenylanilino) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 227.09464 Da
Monoisotopic Mass: 3.6
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]+	228.10192	150.9
[M+Na]+	250.08386	164.8
[M+NH4]+	245.12846	159.6
[M+K]+	266.05780	157.3
[M-H]-	226.08736	155.9
[M+Na-2H]-	248.06931	160.8
[M]+	227.09409	154.3
[M]-	227.09519	154.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.