CID 5461154

Eriodictyol chalcone

Structural Information

Molecular Formula

C₁₅H₁₂O₆

SMILES

C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O)O

InChI

InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+

InChIKey

CRBYNQCDRNZCNX-DUXPYHPUSA-N

Compound name

(E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 458
Patents: 288.0634 Da
Monoisotopic Mass: 2.9
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]+	289.07068	161.9
[M+Na]+	311.05262	170.0
[M-H]-	287.05612	163.1
[M+NH4]+	306.09722	174.3
[M+K]+	327.02656	165.2
[M+H-H2O]+	271.06066	155.6
[M+HCOO]-	333.06160	178.8
[M+CH3COO]-	347.07725	191.2
[M+Na-2H]-	309.03807	162.5
[M]+	288.06285	160.7
[M]-	288.06395	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe