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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10665 166.2
[M+Na]+ 309.08859 176.8
[M-H]- 285.09209 174.8
[M+NH4]+ 304.13319 191.2
[M+K]+ 325.06253 169.7
[M+H-H2O]+ 269.09663 159.7
[M+HCOO]- 331.09757 185.7
[M+CH3COO]- 345.11322 179.1
[M+Na-2H]- 307.07404 169.7
[M]+ 286.09882 166.6
[M]- 286.09992 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.