CID 16217890

4-(6-formylpyridin-2-yl)benzonitrile

Structural Information

Molecular Formula

C₁₃H₈N₂O

SMILES

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

InChI

InChI=1S/C13H8N2O/c14-8-10-4-6-11(7-5-10)13-3-1-2-12(9-16)15-13/h1-7,9H

InChIKey

PPAQGUBYGPCPLW-UHFFFAOYSA-N

Compound name

4-(6-formylpyridin-2-yl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 208.06366 Da
Monoisotopic Mass: 2.0
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]+	209.07094	148.1
[M+Na]+	231.05288	163.1
[M+NH4]+	226.09748	153.3
[M+K]+	247.02682	152.0
[M-H]-	207.05638	144.8
[M+Na-2H]-	229.03833	155.1
[M]+	208.06311	148.6
[M]-	208.06421	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe