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

32
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 156.8
[M+Na]+ 293.01690 164.3
[M-H]- 269.02040 162.8
[M+NH4]+ 288.06150 174.4
[M+K]+ 308.99084 153.0
[M+H-H2O]+ 253.02494 159.4
[M+HCOO]- 315.02588 181.4
[M+CH3COO]- 329.04153 188.1
[M+Na-2H]- 291.00235 166.4
[M]+ 270.02713 155.6
[M]- 270.02823 155.6
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

patents stripe