CID 5466140

Nsc678113

Structural Information

Molecular Formula

C₁₅H₁₀O₅

SMILES

C1=CC(=CC(=C1)O)C2=COC3=CC(=C(C=C3C2=O)O)O

InChI

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

InChIKey

UUYJBFPLBCYAAF-UHFFFAOYSA-N

Compound name

6,7-dihydroxy-3-(3-hydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 270.05283 Da
Monoisotopic Mass: 2.1
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