CID 15590

1720-32-7

Structural Information

Molecular Formula

C₁₈H₁₆

SMILES

C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2

InChI

InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H

InChIKey

BOBLSBAZCVBABY-UHFFFAOYSA-N

Compound name

6-phenylhexa-1,3,5-trienylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1260
References: 3107
Patents: 232.1252 Da
Monoisotopic Mass: 6.1
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]+	233.13248	157.4
[M+Na]+	255.11442	172.9
[M+NH4]+	250.15902	166.7
[M+K]+	271.08836	161.7
[M-H]-	231.11792	162.8
[M+Na-2H]-	253.09987	167.8
[M]+	232.12465	161.3
[M]-	232.12575	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe