CID 53411230

Trinitrofluorenone

Structural Information

Molecular Formula
C13H5N3O7
SMILES
C1=CC=C2C(=C1)C=C3C2=C(C(=C(C3=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H5N3O7/c17-13-8-5-6-3-1-2-4-7(6)9(8)10(14(18)19)11(15(20)21)12(13)16(22)23/h1-5H
InChIKey
FKNIDKXOANSRCS-UHFFFAOYSA-N
Compound name
2,3,4-trinitrofluoren-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5231
Patents

315.01276 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.02004 170.2
[M+Na]+ 338.00198 175.2
[M-H]- 314.00548 175.6
[M+NH4]+ 333.04658 183.6
[M+K]+ 353.97592 160.9
[M+H-H2O]+ 298.01002 175.8
[M+HCOO]- 360.01096 193.3
[M+CH3COO]- 374.02661 192.7
[M+Na-2H]- 335.98743 180.4
[M]+ 315.01221 167.0
[M]- 315.01331 167.0
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.