CID 54693319

Chembl5284565

Structural Information

Molecular Formula

C₁₅H₁₀O₅

SMILES

C1=CC(=CC=C1C2=C(C3=C(C=C(C=C3)O)OC2=O)O)O

InChI

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

InChIKey

KJOZVTXHSREPPH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 55
Patents: 270.05283 Da
Monoisotopic Mass: 2.2
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