CID 6724

Acenaphthenequinone

Structural Information

Molecular Formula

C₁₂H₆O₂

SMILES

C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2

InChI

InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H

InChIKey

AFPRJLBZLPBTPZ-UHFFFAOYSA-N

Compound name

acenaphthylene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 25
References: 5153
Patents: 182.03677 Da
Monoisotopic Mass: 1.9
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]+	183.04405	134.0
[M+Na]+	205.02599	148.7
[M+NH4]+	200.07059	144.4
[M+K]+	220.99993	142.8
[M-H]-	181.02949	136.8
[M+Na-2H]-	203.01144	140.0
[M]+	182.03622	136.9
[M]-	182.03732	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe