CID 368011

Nsc638240

Structural Information

Molecular Formula

C₁₅H₁₀O₅

SMILES

C1=CC=C2C(=C1)C(=O)C3(C2(OC4=CC=CC(=C43)O)O)O

InChI

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

InChIKey

KKHBRWHPOSULMF-UHFFFAOYSA-N

Compound name

4b,9,9b-trihydroxyindeno[1,2-b][1]benzofuran-10-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.05283 Da
Monoisotopic Mass: 0.8
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	155.6
[M+Na]+	293.042048	167.9
[M-H]-	269.045554	160.5
[M+NH4]+	288.086653	179.7
[M+K]+	309.015988	163.5
[M+H-H2O]+	253.050090	152.4
[M+HCOO]-	315.051031	173.2
[M+CH3COO]-	329.066681	169.0
[M+Na-2H]-	291.027496	162.9
[M]+	270.05228142	158.5
[M]-	270.05337858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.