CID 56843837

Einecs 275-887-2

Structural Information

Molecular Formula

C₂₀H₁₄O₂

SMILES

C1CC(=O)C2(C1=O)C=CC3=C4CC=CC5=C4C(=CC=C5)C3=C2

InChI

InChI=1S/C20H14O2/c21-17-7-8-18(22)20(17)10-9-13-14-5-1-3-12-4-2-6-15(19(12)14)16(13)11-20/h1-4,6,9-11H,5,7-8H2

InChIKey

JLPVAQVNKWQRAF-UHFFFAOYSA-N

Compound name

spiro[1H-fluoranthene-8,2'-cyclopentane]-1',3'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.09937 Da
Monoisotopic Mass: 2.4
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]+	287.106646	166.2
[M+Na]+	309.088588	176.8
[M-H]-	285.092094	174.8
[M+NH4]+	304.133193	191.2
[M+K]+	325.062528	169.7
[M+H-H2O]+	269.096630	159.7
[M+HCOO]-	331.097571	185.7
[M+CH3COO]-	345.113221	179.1
[M+Na-2H]-	307.074036	169.7
[M]+	286.09882142	166.6
[M]-	286.09991858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.