CID 39141

3-nitrofluorenone

Structural Information

Molecular Formula
C13H7NO3
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H7NO3/c15-13-10-4-2-1-3-9(10)12-7-8(14(16)17)5-6-11(12)13/h1-7H
InChIKey
GLVSVKSIYXDZHY-UHFFFAOYSA-N
Compound name
3-nitrofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

102
Patents

225.04259 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04987 144.8
[M+Na]+ 248.03181 154.3
[M-H]- 224.03531 151.2
[M+NH4]+ 243.07641 166.2
[M+K]+ 264.00575 146.4
[M+H-H2O]+ 208.03985 143.7
[M+HCOO]- 270.04079 169.8
[M+CH3COO]- 284.05644 184.4
[M+Na-2H]- 246.01726 153.7
[M]+ 225.04204 145.1
[M]- 225.04314 145.1
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