CID 272398

4-nitro-9-fluorenone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

225.04259 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

patents stripe