CID 4345939

2-amino-3-nitro-9-fluorenone

Structural Information

Molecular Formula
C13H8N2O3
SMILES
C1=CC=C2C(=C1)C3=CC(=C(C=C3C2=O)N)[N+](=O)[O-]
InChI
InChI=1S/C13H8N2O3/c14-11-5-10-9(6-12(11)15(17)18)7-3-1-2-4-8(7)13(10)16/h1-6H,14H2
InChIKey
XIEBABCZBKPITH-UHFFFAOYSA-N
Compound name
2-amino-3-nitrofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

240.0535 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.060776 147.4
[M+Na]+ 263.042718 156.7
[M-H]- 239.046224 153.4
[M+NH4]+ 258.087323 167.7
[M+K]+ 279.016658 148.5
[M+H-H2O]+ 223.050760 146.1
[M+HCOO]- 285.051701 172.7
[M+CH3COO]- 299.067351 189.6
[M+Na-2H]- 261.028166 155.4
[M]+ 240.05295142 146.4
[M]- 240.05404858 146.4
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

patents stripe