CID 11815

1,3-indanedione

Structural Information

Molecular Formula

C₉H₆O₂

SMILES

C1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2

InChIKey

UHKAJLSKXBADFT-UHFFFAOYSA-N

Compound name

indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 63
References: 9239
Patents: 146.03677 Da
Monoisotopic Mass: 0.6
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]+	147.044046	124.7
[M+Na]+	169.025988	135.0
[M-H]-	145.029494	130.0
[M+NH4]+	164.070593	149.3
[M+K]+	184.999928	132.5
[M+H-H2O]+	129.034030	120.2
[M+HCOO]-	191.034971	149.5
[M+CH3COO]-	205.050621	173.6
[M+Na-2H]-	167.011436	131.5
[M]+	146.03622142	125.0
[M]-	146.03731858	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe