CID 362117

Nsc625647

Structural Information

Molecular Formula
C19H14O3
SMILES
CC(=O)C1CC2(C3=CC=CC=C3C4=CC=CC=C42)C(=O)C1=O
InChI
InChI=1S/C19H14O3/c1-11(20)14-10-19(18(22)17(14)21)15-8-4-2-6-12(15)13-7-3-5-9-16(13)19/h2-9,14H,10H2,1H3
InChIKey
QCQJQKMIUJOPQF-UHFFFAOYSA-N
Compound name
5-acetylspiro[cyclopentane-3,9'-fluorene]-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10158 167.3
[M+Na]+ 313.08352 177.9
[M-H]- 289.08702 176.0
[M+NH4]+ 308.12812 191.0
[M+K]+ 329.05746 172.3
[M+H-H2O]+ 273.09156 162.0
[M+HCOO]- 335.09250 188.2
[M+CH3COO]- 349.10815 180.5
[M+Na-2H]- 311.06897 168.9
[M]+ 290.09375 168.5
[M]- 290.09485 168.5
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.