CID 11487

Diphenylamine

Structural Information

Molecular Formula

C₁₂H₁₁N

SMILES

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

InChI

InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

InChIKey

DMBHHRLKUKUOEG-UHFFFAOYSA-N

Compound name

N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 1372
References: 96491
Patents: 169.08914 Da
Monoisotopic Mass: 3.5
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]+	170.096416	133.8
[M+Na]+	192.078358	140.6
[M-H]-	168.081864	140.5
[M+NH4]+	187.122963	153.6
[M+K]+	208.052298	137.0
[M+H-H2O]+	152.086400	126.9
[M+HCOO]-	214.087341	160.0
[M+CH3COO]-	228.102991	147.6
[M+Na-2H]-	190.063806	143.6
[M]+	169.08859142	131.5
[M]-	169.08968858	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe