CID 85627655

2-fluoro-4,4-dimethylcyclohexan-1-one

Structural Information

Molecular Formula
C8H13FO
SMILES
CC1(CCC(=O)C(C1)F)C
InChI
InChI=1S/C8H13FO/c1-8(2)4-3-7(10)6(9)5-8/h6H,3-5H2,1-2H3
InChIKey
FRWCBKFSMIEGGT-UHFFFAOYSA-N
Compound name
2-fluoro-4,4-dimethylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.09505 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10233 127.0
[M+Na]+ 167.08427 134.9
[M-H]- 143.08777 129.6
[M+NH4]+ 162.12887 150.9
[M+K]+ 183.05821 133.8
[M+H-H2O]+ 127.09231 122.3
[M+HCOO]- 189.09325 147.0
[M+CH3COO]- 203.10890 175.1
[M+Na-2H]- 165.06972 132.2
[M]+ 144.09450 122.9
[M]- 144.09560 122.9
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

No patent data available for this compound.