CID 86780

18720-11-1

Structural Information

Molecular Formula

C₂₂H₁₈

SMILES

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

InChI

InChI=1S/C22H18/c1-4-11-19(12-5-1)13-10-18-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-18H

InChIKey

ZXJYAYKVSJJDNO-UHFFFAOYSA-N

Compound name

1,4-diphenylbuta-1,3-dienylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 282.14084 Da
Monoisotopic Mass: 6.7
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]+	283.14812	169.0
[M+Na]+	305.13006	173.9
[M-H]-	281.13356	177.4
[M+NH4]+	300.17466	183.6
[M+K]+	321.10400	166.6
[M+H-H2O]+	265.13810	159.7
[M+HCOO]-	327.13904	191.2
[M+CH3COO]-	341.15469	179.6
[M+Na-2H]-	303.11551	173.9
[M]+	282.14029	165.7
[M]-	282.14139	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe