CID 90902261

4',7-dihydroxy-8-methoxyflavone

Structural Information

Molecular Formula

C₁₆H₁₂O₅

SMILES

COC1=C(C=CC2=C1OC(=CC2=O)C3=CC(=CC=C3)O)O

InChI

InChI=1S/C16H12O5/c1-20-16-12(18)6-5-11-13(19)8-14(21-15(11)16)9-3-2-4-10(17)7-9/h2-8,17-18H,1H3

InChIKey

XWNGZFCAANGSRW-UHFFFAOYSA-N

Compound name

7-hydroxy-2-(3-hydroxyphenyl)-8-methoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 284.06848 Da
Monoisotopic Mass: 2.4
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]+	285.075756	160.2
[M+Na]+	307.057698	170.9
[M-H]-	283.061204	167.4
[M+NH4]+	302.102303	174.8
[M+K]+	323.031638	168.1
[M+H-H2O]+	267.065740	152.7
[M+HCOO]-	329.066681	180.8
[M+CH3COO]-	343.082331	197.0
[M+Na-2H]-	305.043146	166.8
[M]+	284.06793142	164.2
[M]-	284.06902858	164.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.