CID 1394500

2'-amino-biphenyl-4-carbonitrile

Structural Information

Molecular Formula

C₁₃H₁₀N₂

SMILES

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

InChI

InChI=1S/C13H10N2/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15/h1-8H,15H2

InChIKey

HOKIEIHVZCGCPS-UHFFFAOYSA-N

Compound name

4-(2-aminophenyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 194.0844 Da
Monoisotopic Mass: 2.6
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	147.9
[M+Na]+	217.07362	158.4
[M-H]-	193.07712	153.2
[M+NH4]+	212.11822	164.8
[M+K]+	233.04756	152.5
[M+H-H2O]+	177.08166	134.6
[M+HCOO]-	239.08260	169.0
[M+CH3COO]-	253.09825	159.5
[M+Na-2H]-	215.05907	153.3
[M]+	194.08385	140.6
[M]-	194.08495	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe