CID 3047109

Brn 5574363

Structural Information

Molecular Formula

C₁₅H₁₀O₅

SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=C(C=CC(=C3)O)O)O

InChI

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

InChIKey

NDJOQPZSDPICAE-UHFFFAOYSA-N

Compound name

2-(2,5-dihydroxyphenyl)-2-hydroxyindene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.05283 Da
Monoisotopic Mass: 1.6
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	156.0
[M+Na]+	293.042048	166.9
[M-H]-	269.045554	161.4
[M+NH4]+	288.086653	175.6
[M+K]+	309.015988	162.0
[M+H-H2O]+	253.050090	151.1
[M+HCOO]-	315.051031	176.0
[M+CH3COO]-	329.066681	190.3
[M+Na-2H]-	291.027496	160.0
[M]+	270.05228142	156.4
[M]-	270.05337858	156.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.