CID 11999997

4-fluorocyclohexan-1-one

Structural Information

Molecular Formula
C6H9FO
SMILES
C1CC(=O)CCC1F
InChI
InChI=1S/C6H9FO/c7-5-1-3-6(8)4-2-5/h5H,1-4H2
InChIKey
RYFSAMIAUWCFNT-UHFFFAOYSA-N
Compound name
4-fluorocyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

116.06374 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.07102 119.7
[M+Na]+ 139.05296 126.5
[M-H]- 115.05646 121.8
[M+NH4]+ 134.09756 142.2
[M+K]+ 155.02690 125.7
[M+H-H2O]+ 99.061000 114.1
[M+HCOO]- 161.06194 140.3
[M+CH3COO]- 175.07759 168.3
[M+Na-2H]- 137.03841 125.4
[M]+ 116.06319 114.2
[M]- 116.06429 114.2
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