CID 51978

73663-75-9

Structural Information

Molecular Formula

C₁₄H₁₁FN₂

SMILES

C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)F)N

InChI

InChI=1S/C14H11FN2/c15-12-5-1-10(2-6-12)14(9-16)11-3-7-13(17)8-4-11/h1-8,14H,17H2

InChIKey

OGKREBZIRNUWFV-UHFFFAOYSA-N

Compound name

2-(4-aminophenyl)-2-(4-fluorophenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.09062 Da
Monoisotopic Mass: 2.7
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]+	227.09790	154.3
[M+Na]+	249.07984	164.0
[M-H]-	225.08334	158.1
[M+NH4]+	244.12444	169.8
[M+K]+	265.05378	158.0
[M+H-H2O]+	209.08788	139.9
[M+HCOO]-	271.08882	173.2
[M+CH3COO]-	285.10447	204.2
[M+Na-2H]-	247.06529	157.5
[M]+	226.09007	145.7
[M]-	226.09117	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe