CID 15193

4-fluorofluoren-9-one

Structural Information

Molecular Formula
C13H7FO
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3F
InChI
InChI=1S/C13H7FO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7H
InChIKey
CBJABQXTFIBKGZ-UHFFFAOYSA-N
Compound name
4-fluorofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.0481 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05538 137.5
[M+Na]+ 221.03732 149.2
[M-H]- 197.04082 142.8
[M+NH4]+ 216.08192 161.3
[M+K]+ 237.01126 144.3
[M+H-H2O]+ 181.04536 131.4
[M+HCOO]- 243.04630 160.7
[M+CH3COO]- 257.06195 152.3
[M+Na-2H]- 219.02277 144.5
[M]+ 198.04755 138.0
[M]- 198.04865 138.0
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