CID 224103

2,5-dinitro-9h-fluoren-9-one

Structural Information

Molecular Formula
C13H6N2O5
SMILES
C1=CC2=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H6N2O5/c16-13-9-2-1-3-11(15(19)20)12(9)8-5-4-7(14(17)18)6-10(8)13/h1-6H
InChIKey
LGDAXDNJFXVZHI-UHFFFAOYSA-N
Compound name
2,5-dinitrofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

270.02768 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03496 157.7
[M+Na]+ 293.01690 172.1
[M+NH4]+ 288.06150 165.9
[M+K]+ 308.99084 172.3
[M-H]- 269.02040 162.5
[M+Na-2H]- 291.00235 162.1
[M]+ 270.02713 160.8
[M]- 270.02823 160.8
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

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