CID 4760

Phenindione

Structural Information

Molecular Formula

C₁₅H₁₀O₂

SMILES

C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H

InChIKey

NFBAXHOPROOJAW-UHFFFAOYSA-N

Compound name

2-phenylindene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 963
References: 11341
Patents: 222.06808 Da
Monoisotopic Mass: 2.9
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]+	223.07536	147.6
[M+Na]+	245.05730	162.8
[M+NH4]+	240.10190	157.5
[M+K]+	261.03124	156.2
[M-H]-	221.06080	152.5
[M+Na-2H]-	243.04275	156.0
[M]+	222.06753	151.3
[M]-	222.06863	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe