CID 6838

N-nitrosodiphenylamine

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

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

InChI

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

InChIKey

UBUCNCOMADRQHX-UHFFFAOYSA-N

Compound name

N,N-diphenylnitrous amide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 65
References: 9718
Patents: 198.07932 Da
Monoisotopic Mass: 3.1
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	140.2
[M+Na]+	221.068538	146.7
[M-H]-	197.072044	149.5
[M+NH4]+	216.113143	159.5
[M+K]+	237.042478	145.4
[M+H-H2O]+	181.076580	131.9
[M+HCOO]-	243.077521	169.7
[M+CH3COO]-	257.093171	193.0
[M+Na-2H]-	219.053986	149.8
[M]+	198.07877142	140.9
[M]-	198.07986858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe