CID 4608762

1568-74-7

Structural Information

Molecular Formula

C₂₀H₁₈O₂

SMILES

COC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18O2/c1-21-19-10-6-15(7-11-19)17-4-3-5-18(14-17)16-8-12-20(22-2)13-9-16/h3-14H,1-2H3

InChIKey

CNIVKSMELXXQAZ-UHFFFAOYSA-N

Compound name

1,3-bis(4-methoxyphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 290.13068 Da
Monoisotopic Mass: 5.1
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	168.2
[M+Na]+	313.11990	176.1
[M-H]-	289.12340	178.1
[M+NH4]+	308.16450	183.4
[M+K]+	329.09384	171.5
[M+H-H2O]+	273.12794	159.0
[M+HCOO]-	335.12888	192.2
[M+CH3COO]-	349.14453	180.5
[M+Na-2H]-	311.10535	173.1
[M]+	290.13013	170.5
[M]-	290.13123	170.5

Literature stripe

literature stripe

Patent stripe

patents stripe