CID 1515238

4-(2-pyridyl)benzonitrile

Structural Information

Molecular Formula

C₁₂H₈N₂

SMILES

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

InChI

InChI=1S/C12H8N2/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h1-8H

InChIKey

CCMRFUCSFRRPNT-UHFFFAOYSA-N

Compound name

4-pyridin-2-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 180.06874 Da
Monoisotopic Mass: 2.3
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]+	181.07602	142.4
[M+Na]+	203.05796	157.6
[M+NH4]+	198.10256	148.5
[M+K]+	219.03190	146.1
[M-H]-	179.06146	139.8
[M+Na-2H]-	201.04341	150.4
[M]+	180.06819	143.2
[M]-	180.06929	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe