CID 9964342

36602-01-4

Structural Information

Molecular Formula

C₁₃H₁₀N₂

SMILES

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

InChI

InChI=1S/C13H10N2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,15H

InChIKey

CDJDZWDNBFIGKY-UHFFFAOYSA-N

Compound name

4-anilinobenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 194.0844 Da
Monoisotopic Mass: 2.9
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]+	195.09168	148.2
[M+Na]+	217.07362	162.3
[M+NH4]+	212.11822	154.4
[M+K]+	233.04756	150.6
[M-H]-	193.07712	146.5
[M+Na-2H]-	215.05907	155.8
[M]+	194.08385	149.0
[M]-	194.08495	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe