CID 43137984

4-(pyridin-3-yloxy)benzonitrile

Structural Information

Molecular Formula

C₁₂H₈N₂O

SMILES

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

InChI

InChI=1S/C12H8N2O/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12/h1-7,9H

InChIKey

AIFAURQOXGQJRN-UHFFFAOYSA-N

Compound name

4-pyridin-3-yloxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 196.06366 Da
Monoisotopic Mass: 2.1
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]+	197.07094	145.4
[M+Na]+	219.05288	160.2
[M+NH4]+	214.09748	150.9
[M+K]+	235.02682	149.1
[M-H]-	195.05638	142.3
[M+Na-2H]-	217.03833	152.9
[M]+	196.06311	145.9
[M]-	196.06421	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe