CID 11778945

3-hydroxyphloretin

Structural Information

Molecular Formula

C₁₅H₁₄O₆

SMILES

C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O)O

InChI

InChI=1S/C15H14O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1,3,5-7,16-17,19-21H,2,4H2

InChIKey

CNABJBYLQABXJR-UHFFFAOYSA-N

Compound name

3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 111
Patents: 290.07904 Da
Monoisotopic Mass: 2.3
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]+	291.086316	162.8
[M+Na]+	313.068258	170.5
[M-H]-	289.071764	163.9
[M+NH4]+	308.112863	175.1
[M+K]+	329.042198	166.3
[M+H-H2O]+	273.076300	156.3
[M+HCOO]-	335.077241	179.5
[M+CH3COO]-	349.092891	192.5
[M+Na-2H]-	311.053706	163.4
[M]+	290.07849142	162.3
[M]-	290.07958858	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe