CID 44258711

3,3',4',5,5',8-hexahydroxyflavone

Structural Information

Molecular Formula

C₁₅H₁₀O₈

SMILES

C1=CC(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)O)O)O)O

InChI

InChI=1S/C15H10O8/c16-6-1-2-7(17)15-10(6)12(21)13(22)14(23-15)5-3-8(18)11(20)9(19)4-5/h1-4,16-20,22H

InChIKey

JGTKWAPKKUUANC-UHFFFAOYSA-N

Compound name

3,5,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5
Patents: 318.03757 Da
Monoisotopic Mass: 1.8
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]+	319.044846	166.5
[M+Na]+	341.026788	177.5
[M-H]-	317.030294	169.4
[M+NH4]+	336.071393	177.2
[M+K]+	357.000728	174.6
[M+H-H2O]+	301.034830	159.7
[M+HCOO]-	363.035771	181.5
[M+CH3COO]-	377.051421	197.7
[M+Na-2H]-	339.012236	169.9
[M]+	318.03702142	168.8
[M]-	318.03811858	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe