CID 35842

2,7-dinitro-9-fluorenone

Structural Information

Molecular Formula
C13H6N2O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H6N2O5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H
InChIKey
HDVGAFBXTXDYIB-UHFFFAOYSA-N
Compound name
2,7-dinitrofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1008
Patents

270.02768 Da
Monoisotopic Mass

2.8
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