CID 11999997

4-fluorocyclohexanone

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

184
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 123.0
[M+Na]+ 139.05296 133.8
[M+NH4]+ 134.09756 131.8
[M+K]+ 155.02690 127.5
[M-H]- 115.05646 123.7
[M+Na-2H]- 137.03841 128.2
[M]+ 116.06319 124.5
[M]- 116.06429 124.5
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