CID 11162091

10403-74-4

Structural Information

Molecular Formula

C₂₀H₁₈O₂

SMILES

C1=CC=C(C=C1)OCC2=CC=CC=C2COC3=CC=CC=C3

InChI

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

InChIKey

JTWBMEAENZGSOQ-UHFFFAOYSA-N

Compound name

1,2-bis(phenoxymethyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 838
Patents: 290.13068 Da
Monoisotopic Mass: 4.9
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	169.9
[M+Na]+	313.11990	187.1
[M+NH4]+	308.16450	179.6
[M+K]+	329.09384	176.5
[M-H]-	289.12340	177.8
[M+Na-2H]-	311.10535	183.0
[M]+	290.13013	174.9
[M]-	290.13123	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe