CID 27047

2,5-dinitrofluorene

Structural Information

Molecular Formula
C13H8N2O4
SMILES
C1C2=C(C3=C1C=C(C=C3)[N+](=O)[O-])C(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H8N2O4/c16-14(17)10-4-5-11-9(7-10)6-8-2-1-3-12(13(8)11)15(18)19/h1-5,7H,6H2
InChIKey
XHAHNUAISBGLEX-UHFFFAOYSA-N
Compound name
2,5-dinitro-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

256.0484 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05568 154.6
[M+Na]+ 279.03762 161.3
[M-H]- 255.04112 160.3
[M+NH4]+ 274.08222 172.7
[M+K]+ 295.01156 150.0
[M+H-H2O]+ 239.04566 157.1
[M+HCOO]- 301.04660 179.0
[M+CH3COO]- 315.06225 186.1
[M+Na-2H]- 277.02307 164.4
[M]+ 256.04785 152.5
[M]- 256.04895 152.5
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