CID 83854460

1-(4-fluorocyclohexyl)ethan-1-one

Structural Information

Molecular Formula
C8H13FO
SMILES
CC(=O)C1CCC(CC1)F
InChI
InChI=1S/C8H13FO/c1-6(10)7-2-4-8(9)5-3-7/h7-8H,2-5H2,1H3
InChIKey
CZCNPUFGNRKHNE-UHFFFAOYSA-N
Compound name
1-(4-fluorocyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.09505 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10233 129.2
[M+Na]+ 167.08427 134.9
[M-H]- 143.08777 131.0
[M+NH4]+ 162.12887 150.6
[M+K]+ 183.05821 134.0
[M+H-H2O]+ 127.09231 123.3
[M+HCOO]- 189.09325 148.1
[M+CH3COO]- 203.10890 175.2
[M+Na-2H]- 165.06972 132.5
[M]+ 144.09450 123.7
[M]- 144.09560 123.7
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

patents stripe