CID 3107280

2,7-dinitro-9-oxo-9h-fluorene-4-carbonitrile

Structural Information

Molecular Formula
C14H5N3O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)C#N)[N+](=O)[O-]
InChI
InChI=1S/C14H5N3O5/c15-6-7-3-9(17(21)22)5-12-13(7)10-2-1-8(16(19)20)4-11(10)14(12)18/h1-5H
InChIKey
KPFCTSPVNYQSOW-UHFFFAOYSA-N
Compound name
2,7-dinitro-9-oxofluorene-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

295.02292 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03020 178.5
[M+Na]+ 318.01214 188.4
[M-H]- 294.01564 182.9
[M+NH4]+ 313.05674 193.0
[M+K]+ 333.98608 174.7
[M+H-H2O]+ 278.02018 173.5
[M+HCOO]- 340.02112 198.3
[M+CH3COO]- 354.03677 204.2
[M+Na-2H]- 315.99759 184.6
[M]+ 295.02237 172.4
[M]- 295.02347 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.