CID 28401834

3-(4-aminophenoxy)benzonitrile

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)C#N

InChI

InChI=1S/C13H10N2O/c14-9-10-2-1-3-13(8-10)16-12-6-4-11(15)5-7-12/h1-8H,15H2

InChIKey

VIAKQBRLRUIQHB-UHFFFAOYSA-N

Compound name

3-(4-aminophenoxy)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 210.07932 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]+	211.08660	150.2
[M+Na]+	233.06854	163.9
[M+NH4]+	228.11314	155.7
[M+K]+	249.04248	153.1
[M-H]-	209.07204	147.9
[M+Na-2H]-	231.05399	156.8
[M]+	210.07877	150.7
[M]-	210.07987	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe