CID 16217965

2'-bromo-2,6-dimethoxybiphenyl

Structural Information

Molecular Formula

C₁₄H₁₃BrO₂

SMILES

COC1=C(C(=CC=C1)OC)C2=CC=CC=C2Br

InChI

InChI=1S/C14H13BrO2/c1-16-12-8-5-9-13(17-2)14(12)10-6-3-4-7-11(10)15/h3-9H,1-2H3

InChIKey

PUOROVCYOTZRRV-UHFFFAOYSA-N

Compound name

2-(2-bromophenyl)-1,3-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 292.0099 Da
Monoisotopic Mass: 4.2
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]+	293.01718	156.6
[M+Na]+	314.99912	168.5
[M-H]-	291.00262	166.2
[M+NH4]+	310.04372	176.1
[M+K]+	330.97306	157.6
[M+H-H2O]+	275.00716	155.7
[M+HCOO]-	337.00810	178.7
[M+CH3COO]-	351.02375	198.9
[M+Na-2H]-	312.98457	163.3
[M]+	292.00935	178.1
[M]-	292.01045	178.1

Literature stripe

literature stripe

Patent stripe

patents stripe