CID 95417

538-58-9

Structural Information

Molecular Formula

C₁₇H₁₄O

SMILES

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

InChI

InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H

InChIKey

WMKGGPCROCCUDY-UHFFFAOYSA-N

Compound name

1,5-diphenylpenta-1,4-dien-3-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 93
References: 168455
Patents: 234.10446 Da
Monoisotopic Mass: 4.1
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]+	235.11174	154.2
[M+Na]+	257.09368	160.3
[M-H]-	233.09718	160.2
[M+NH4]+	252.13828	171.4
[M+K]+	273.06762	154.9
[M+H-H2O]+	217.10172	146.6
[M+HCOO]-	279.10266	177.4
[M+CH3COO]-	293.11831	190.2
[M+Na-2H]-	255.07913	159.5
[M]+	234.10391	152.8
[M]-	234.10501	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe