CID 362106

Nsc625634

Structural Information

Molecular Formula
C18H11NO2
SMILES
C1C(C(=O)C(=O)C12C3=CC=CC=C3C4=CC=CC=C24)C#N
InChI
InChI=1S/C18H11NO2/c19-10-11-9-18(17(21)16(11)20)14-7-3-1-5-12(14)13-6-2-4-8-15(13)18/h1-8,11H,9H2
InChIKey
NBZRKLUWTXMVFR-UHFFFAOYSA-N
Compound name
2,3-dioxospiro[cyclopentane-4,9'-fluorene]-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.07898 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08626 170.6
[M+Na]+ 296.06820 185.5
[M-H]- 272.07170 177.8
[M+NH4]+ 291.11280 192.7
[M+K]+ 312.04214 173.7
[M+H-H2O]+ 256.07624 158.5
[M+HCOO]- 318.07718 189.0
[M+CH3COO]- 332.09283 182.4
[M+Na-2H]- 294.05365 172.8
[M]+ 273.07843 166.2
[M]- 273.07953 166.2
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.