CID 13811885

4-fluoro-4-methylcyclohexan-1-one

Structural Information

Molecular Formula
C7H11FO
SMILES
CC1(CCC(=O)CC1)F
InChI
InChI=1S/C7H11FO/c1-7(8)4-2-6(9)3-5-7/h2-5H2,1H3
InChIKey
VNIIEUFELZJOQM-UHFFFAOYSA-N
Compound name
4-fluoro-4-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

130.07939 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08667 123.7
[M+Na]+ 153.06861 131.0
[M-H]- 129.07211 126.0
[M+NH4]+ 148.11321 147.8
[M+K]+ 169.04255 130.2
[M+H-H2O]+ 113.07665 118.8
[M+HCOO]- 175.07759 144.0
[M+CH3COO]- 189.09324 170.9
[M+Na-2H]- 151.05406 130.0
[M]+ 130.07884 118.8
[M]- 130.07994 118.8
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