CID 13887

2-phenylpyridine

Structural Information

Molecular Formula

C₁₁H₉N

SMILES

C1=CC=C(C=C1)C2=CC=CC=N2

InChI

InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H

InChIKey

VQGHOUODWALEFC-UHFFFAOYSA-N

Compound name

2-phenylpyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 275
References: 95590
Patents: 155.0735 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]+	156.08078	130.0
[M+Na]+	178.06272	138.0
[M-H]-	154.06622	135.3
[M+NH4]+	173.10732	149.3
[M+K]+	194.03666	134.7
[M+H-H2O]+	138.07076	122.5
[M+HCOO]-	200.07170	154.1
[M+CH3COO]-	214.08735	143.9
[M+Na-2H]-	176.04817	140.0
[M]+	155.07295	128.5
[M]-	155.07405	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe