CID 15389198

3-(benzyloxy)-5-bromopyridine

Structural Information

Molecular Formula

C₁₂H₁₀BrNO

SMILES

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

InChI

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

InChIKey

YSHKYZAWTWKQKK-UHFFFAOYSA-N

Compound name

3-bromo-5-phenylmethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 622
Patents: 262.99457 Da
Monoisotopic Mass: 3.0
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]+	264.001846	148.1
[M+Na]+	285.983788	159.4
[M-H]-	261.987294	156.0
[M+NH4]+	281.028393	167.1
[M+K]+	301.957728	148.2
[M+H-H2O]+	245.991830	147.0
[M+HCOO]-	307.992771	169.7
[M+CH3COO]-	322.008421	191.7
[M+Na-2H]-	283.969236	157.5
[M]+	262.99402142	167.5
[M]-	262.99511858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe