CID 136630925

6,7-dehydrobaicalein

Structural Information

Molecular Formula

C₁₅H₈O₅

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=O)C3=O)O

InChI

InChI=1S/C15H8O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17H

InChIKey

JYELYVBLRJBNPV-UHFFFAOYSA-N

Compound name

7-hydroxy-2-phenylchromene-4,5,6-trione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 268.03717 Da
Monoisotopic Mass: 1.4
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]+	269.04445	154.5
[M+Na]+	291.02639	170.8
[M+NH4]+	286.07099	162.1
[M+K]+	307.00033	164.4
[M-H]-	267.02989	159.5
[M+Na-2H]-	289.01184	161.8
[M]+	268.03662	158.3
[M]-	268.03772	158.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.