CID 15939708

1-fluorobicyclo[3.3.1]nonan-3-one

Structural Information

Molecular Formula
C9H13FO
SMILES
C1CC2CC(=O)CC(C1)(C2)F
InChI
InChI=1S/C9H13FO/c10-9-3-1-2-7(5-9)4-8(11)6-9/h7H,1-6H2
InChIKey
SMRRHXWTCQFVAD-UHFFFAOYSA-N
Compound name
1-fluorobicyclo[3.3.1]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.09505 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.10233 131.5
[M+Na]+ 179.08427 137.8
[M-H]- 155.08777 132.6
[M+NH4]+ 174.12887 156.0
[M+K]+ 195.05821 135.7
[M+H-H2O]+ 139.09231 126.0
[M+HCOO]- 201.09325 147.8
[M+CH3COO]- 215.10890 176.3
[M+Na-2H]- 177.06972 138.6
[M]+ 156.09450 125.2
[M]- 156.09560 125.2
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.