CID 7111

Benzidine

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N)N

InChI

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

InChIKey

HFACYLZERDEVSX-UHFFFAOYSA-N

Compound name

4-(4-aminophenyl)aniline

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 784
References: 114676
Patents: 184.10005 Da
Monoisotopic Mass: 1.3
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]+	185.107326	138.9
[M+Na]+	207.089268	146.7
[M-H]-	183.092774	145.2
[M+NH4]+	202.133873	157.8
[M+K]+	223.063208	142.4
[M+H-H2O]+	167.097310	132.0
[M+HCOO]-	229.098251	164.8
[M+CH3COO]-	243.113901	152.2
[M+Na-2H]-	205.074716	145.4
[M]+	184.09950142	134.7
[M]-	184.10059858	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe