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

26
Patents

240.0535 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06078 147.4
[M+Na]+ 263.04272 156.7
[M-H]- 239.04622 153.4
[M+NH4]+ 258.08732 167.7
[M+K]+ 279.01666 148.5
[M+H-H2O]+ 223.05076 146.1
[M+HCOO]- 285.05170 172.7
[M+CH3COO]- 299.06735 189.6
[M+Na-2H]- 261.02817 155.4
[M]+ 240.05295 146.4
[M]- 240.05405 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