CID 53217389

2-(benzyloxy)-4-bromopyridine

Structural Information

Molecular Formula

C₁₂H₁₀BrNO

SMILES

C1=CC=C(C=C1)COC2=NC=CC(=C2)Br

InChI

InChI=1S/C12H10BrNO/c13-11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2

InChIKey

ZBTZIRNIUHLSSJ-UHFFFAOYSA-N

Compound name

4-bromo-2-phenylmethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 159
Patents: 262.99457 Da
Monoisotopic Mass: 3.3
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]+	264.00185	148.1
[M+Na]+	285.98379	159.4
[M-H]-	261.98729	156.0
[M+NH4]+	281.02839	167.1
[M+K]+	301.95773	148.2
[M+H-H2O]+	245.99183	147.0
[M+HCOO]-	307.99277	169.7
[M+CH3COO]-	322.00842	191.7
[M+Na-2H]-	283.96924	157.5
[M]+	262.99402	167.5
[M]-	262.99512	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe