CID 12673495

3-(4-bromophenoxy)-pyridine

Structural Information

Molecular Formula

C₁₁H₈BrNO

SMILES

C1=CC(=CN=C1)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C11H8BrNO/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H

InChIKey

ARFFAYAYZONBST-UHFFFAOYSA-N

Compound name

3-(4-bromophenoxy)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 248.97893 Da
Monoisotopic Mass: 3.2
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]+	249.98621	143.8
[M+Na]+	271.96815	150.0
[M+NH4]+	267.01275	149.6
[M+K]+	287.94209	148.3
[M-H]-	247.97165	146.7
[M+Na-2H]-	269.95360	151.2
[M]+	248.97838	144.5
[M]-	248.97948	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe