CID 132509662

Piceatannolquinone

Structural Information

Molecular Formula

C₁₄H₁₀O₄

SMILES

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

InChI

InChI=1S/C14H10O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-16H/b2-1+

InChIKey

PWSWEBOEALKFNG-OWOJBTEDSA-N

Compound name

4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.0579 Da
Monoisotopic Mass: 1.5
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]+	243.065176	150.1
[M+Na]+	265.047118	159.3
[M-H]-	241.050624	155.0
[M+NH4]+	260.091723	166.6
[M+K]+	281.021058	154.5
[M+H-H2O]+	225.055160	143.7
[M+HCOO]-	287.056101	171.5
[M+CH3COO]-	301.071751	187.3
[M+Na-2H]-	263.032566	153.6
[M]+	242.05735142	149.3
[M]-	242.05844858	149.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.