CID 69315

1,4-dibenzyloxybenzene

Structural Information

Molecular Formula

C₂₀H₁₈O₂

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18O2/c1-3-7-17(8-4-1)15-21-19-11-13-20(14-12-19)22-16-18-9-5-2-6-10-18/h1-14H,15-16H2

InChIKey

DYULYMCXVSRUPB-UHFFFAOYSA-N

Compound name

1,4-bis(phenylmethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 424
Patents: 290.13068 Da
Monoisotopic Mass: 5.3
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]+	291.13796	168.4
[M+Na]+	313.11990	174.4
[M-H]-	289.12340	177.4
[M+NH4]+	308.16450	182.9
[M+K]+	329.09384	169.6
[M+H-H2O]+	273.12794	158.8
[M+HCOO]-	335.12888	192.3
[M+CH3COO]-	349.14453	179.9
[M+Na-2H]-	311.10535	174.7
[M]+	290.13013	169.7
[M]-	290.13123	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe