CID 26967066

663955-79-1

Structural Information

Molecular Formula

C₁₃H₁₂BrNO₂

SMILES

COC1=CC=C(C=C1)COC2=NC=C(C=C2)Br

InChI

InChI=1S/C13H12BrNO2/c1-16-12-5-2-10(3-6-12)9-17-13-7-4-11(14)8-15-13/h2-8H,9H2,1H3

InChIKey

NCWXAIKSFAEBJX-UHFFFAOYSA-N

Compound name

5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 293.00513 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]+	294.01241	156.0
[M+Na]+	315.99435	161.7
[M+NH4]+	311.03895	161.0
[M+K]+	331.96829	160.1
[M-H]-	291.99785	158.5
[M+Na-2H]-	313.97980	162.2
[M]+	293.00458	156.5
[M]-	293.00568	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe