CID 70309

1h-indene-1,2,3-trione

Structural Information

Molecular Formula

C₉H₄O₃

SMILES

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

InChI

InChI=1S/C9H4O3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4H

InChIKey

WVZWEMOFSIEEMU-UHFFFAOYSA-N

Compound name

indene-1,2,3-trione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38316
Patents: 160.01604 Da
Monoisotopic Mass: 0.9
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]+	161.02332	126.5
[M+Na]+	183.00526	141.2
[M+NH4]+	178.04986	135.3
[M+K]+	198.97920	136.6
[M-H]-	159.00876	128.3
[M+Na-2H]-	180.99071	133.5
[M]+	160.01549	129.1
[M]-	160.01659	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe