CID 5205521

3-fluoro-2-nitro-9h-fluorene

Structural Information

Molecular Formula
C13H8FNO2
SMILES
C1C2=CC=CC=C2C3=CC(=C(C=C31)[N+](=O)[O-])F
InChI
InChI=1S/C13H8FNO2/c14-12-7-11-9(6-13(12)15(16)17)5-8-3-1-2-4-10(8)11/h1-4,6-7H,5H2
InChIKey
AXZPZKAKTKXYKZ-UHFFFAOYSA-N
Compound name
3-fluoro-2-nitro-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05391 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06119 145.1
[M+Na]+ 252.04313 154.6
[M-H]- 228.04663 150.1
[M+NH4]+ 247.08773 166.5
[M+K]+ 268.01707 146.2
[M+H-H2O]+ 212.05117 143.1
[M+HCOO]- 274.05211 168.8
[M+CH3COO]- 288.06776 186.0
[M+Na-2H]- 250.02858 153.2
[M]+ 229.05336 143.7
[M]- 229.05446 143.7
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

No patent data available for this compound.