CID 15729

2-fluoro-7-nitrofluorene

Structural Information

Molecular Formula
C13H8FNO2
SMILES
C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)F
InChI
InChI=1S/C13H8FNO2/c14-10-1-3-12-8(6-10)5-9-7-11(15(16)17)2-4-13(9)12/h1-4,6-7H,5H2
InChIKey
ZGVSZORIRFNOCF-UHFFFAOYSA-N
Compound name
2-fluoro-7-nitro-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

146
Patents

229.05391 Da
Monoisotopic Mass

3.6
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

literature stripe

Patent stripe

patents stripe