CID 9074

4-nitrosodiphenylamine

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O

InChI

InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H

InChIKey

OIJHFHYPXWSVPF-UHFFFAOYSA-N

Compound name

4-nitroso-N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4
References: 1395
Patents: 198.07932 Da
Monoisotopic Mass: 2.5
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]+	199.086596	139.6
[M+Na]+	221.068538	147.1
[M-H]-	197.072044	148.0
[M+NH4]+	216.113143	158.7
[M+K]+	237.042478	144.3
[M+H-H2O]+	181.076580	131.8
[M+HCOO]-	243.077521	168.7
[M+CH3COO]-	257.093171	190.7
[M+Na-2H]-	219.053986	149.4
[M]+	198.07877142	139.6
[M]-	198.07986858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe