CID 10241

9-fluorenone

Structural Information

Molecular Formula
C13H8O
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
InChIKey
YLQWCDOCJODRMT-UHFFFAOYSA-N
Compound name
fluoren-9-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

194
References

70187
Patents

180.05751 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06479 134.7
[M+Na]+ 203.04673 145.5
[M-H]- 179.05023 141.0
[M+NH4]+ 198.09133 159.0
[M+K]+ 219.02067 141.0
[M+H-H2O]+ 163.05477 129.4
[M+HCOO]- 225.05571 159.0
[M+CH3COO]- 239.07136 149.8
[M+Na-2H]- 201.03218 143.0
[M]+ 180.05696 135.9
[M]- 180.05806 135.9
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