CID 5393155

6,7,3'-trihydroxyflavone

Structural Information

Molecular Formula

C₁₅H₁₀O₅

SMILES

C1=CC(=CC(=C1)O)C2=CC(=O)C3=CC(=C(C=C3O2)O)O

InChI

InChI=1S/C15H10O5/c16-9-3-1-2-8(4-9)14-6-11(17)10-5-12(18)13(19)7-15(10)20-14/h1-7,16,18-19H

InChIKey

YLQLFNHURAYJDR-UHFFFAOYSA-N

Compound name

6,7-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 7
Patents: 270.05283 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]+	271.060106	155.9
[M+Na]+	293.042048	166.7
[M-H]-	269.045554	161.9
[M+NH4]+	288.086653	170.4
[M+K]+	309.015988	163.2
[M+H-H2O]+	253.050090	149.0
[M+HCOO]-	315.051031	175.4
[M+CH3COO]-	329.066681	168.6
[M+Na-2H]-	291.027496	162.6
[M]+	270.05228142	157.9
[M]-	270.05337858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe