CID 576418

2,5-diphenyl-1-hexene

Structural Information

Molecular Formula

C₁₈H₂₀

SMILES

CC(CCC(=C)C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H20/c1-15(17-9-5-3-6-10-17)13-14-16(2)18-11-7-4-8-12-18/h3-12,16H,1,13-14H2,2H3

InChIKey

MGHAVLCKKYUDMS-UHFFFAOYSA-N

Compound name

5-phenylhex-1-en-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 292
Patents: 236.1565 Da
Monoisotopic Mass: 6.0
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]+	237.163776	157.3
[M+Na]+	259.145718	162.0
[M-H]-	235.149224	163.1
[M+NH4]+	254.190323	174.4
[M+K]+	275.119658	157.4
[M+H-H2O]+	219.153760	149.7
[M+HCOO]-	281.154701	178.5
[M+CH3COO]-	295.170351	195.0
[M+Na-2H]-	257.131166	160.8
[M]+	236.15595142	155.8
[M]-	236.15704858	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe