CID 129827299

N-acetoxybenzidine

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C14H14N2O2/c1-10(17)18-16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9,16H,15H2,1H3

InChIKey

VFVUONTVQXSSGF-UHFFFAOYSA-N

Compound name

[4-(4-aminophenyl)anilino] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.10553 Da
Monoisotopic Mass: 2.9
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]+	243.112806	153.9
[M+Na]+	265.094748	160.6
[M-H]-	241.098254	160.4
[M+NH4]+	260.139353	170.4
[M+K]+	281.068688	157.3
[M+H-H2O]+	225.102790	146.0
[M+HCOO]-	287.103731	179.3
[M+CH3COO]-	301.119381	197.1
[M+Na-2H]-	263.080196	159.0
[M]+	242.10498142	152.8
[M]-	242.10607858	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe