CID 5393164

7,3',4',5'-tetrahydroxyflavone

Structural Information

Molecular Formula

C₁₅H₁₀O₆

SMILES

C1=CC2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C(=C3)O)O)O

InChI

InChI=1S/C15H10O6/c16-8-1-2-9-10(17)6-13(21-14(9)5-8)7-3-11(18)15(20)12(19)4-7/h1-6,16,18-20H

InChIKey

CCCIGFPBADVTFE-UHFFFAOYSA-N

Compound name

7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 415
Patents: 286.04773 Da
Monoisotopic Mass: 2.6
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]+	287.05501	159.5
[M+Na]+	309.03695	170.4
[M-H]-	285.04045	164.4
[M+NH4]+	304.08155	172.7
[M+K]+	325.01089	167.0
[M+H-H2O]+	269.04499	152.6
[M+HCOO]-	331.04593	177.4
[M+CH3COO]-	345.06158	193.5
[M+Na-2H]-	307.02240	165.1
[M]+	286.04718	161.5
[M]-	286.04828	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe