CID 3613128

1-(benzyloxy)-4-bromo-2-methoxybenzene

Structural Information

Molecular Formula

C₁₄H₁₃BrO₂

SMILES

COC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C14H13BrO2/c1-16-14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3

InChIKey

AEGJXXCGTFMRGY-UHFFFAOYSA-N

Compound name

4-bromo-2-methoxy-1-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 292.0099 Da
Monoisotopic Mass: 4.0
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]+	293.01718	157.1
[M+Na]+	314.99912	168.2
[M-H]-	291.00262	166.4
[M+NH4]+	310.04372	176.4
[M+K]+	330.97306	157.3
[M+H-H2O]+	275.00716	156.2
[M+HCOO]-	337.00810	179.3
[M+CH3COO]-	351.02375	197.8
[M+Na-2H]-	312.98457	164.5
[M]+	292.00935	178.2
[M]-	292.01045	178.2

Literature stripe

literature stripe

Patent stripe

patents stripe