CID 70810

2-acetyl-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula

C₁₁H₈O₃

SMILES

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

InChI

InChI=1S/C11H8O3/c1-6(12)9-10(13)7-4-2-3-5-8(7)11(9)14/h2-5,9H,1H3

InChIKey

SGLKFWMIZOJHCL-UHFFFAOYSA-N

Compound name

2-acetylindene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 46
Patents: 188.04735 Da
Monoisotopic Mass: 1.2
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]+	189.05463	137.7
[M+Na]+	211.03657	149.8
[M+NH4]+	206.08117	145.9
[M+K]+	227.01051	146.0
[M-H]-	187.04007	138.8
[M+Na-2H]-	209.02202	142.0
[M]+	188.04680	139.5
[M]-	188.04790	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe