CID 7564

4-aminodiphenylamine

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

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

InChI

InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2

InChIKey

ATGUVEKSASEFFO-UHFFFAOYSA-N

Compound name

4-N-phenylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 59
References: 21797
Patents: 184.10005 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]+	185.10733	138.0
[M+Na]+	207.08927	144.8
[M-H]-	183.09277	144.4
[M+NH4]+	202.13387	156.8
[M+K]+	223.06321	140.8
[M+H-H2O]+	167.09731	130.8
[M+HCOO]-	229.09825	164.5
[M+CH3COO]-	243.11390	151.2
[M+Na-2H]-	205.07472	146.3
[M]+	184.09950	134.4
[M]-	184.10060	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe