CID 12132618

3-(4-fluorophenyl)cyclohexan-1-one

Structural Information

Molecular Formula
C12H13FO
SMILES
C1CC(CC(=O)C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h4-7,10H,1-3,8H2
InChIKey
ACJABDUOKFETPL-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

192.09505 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10233 139.6
[M+Na]+ 215.08427 146.2
[M-H]- 191.08777 144.6
[M+NH4]+ 210.12887 159.0
[M+K]+ 231.05821 143.0
[M+H-H2O]+ 175.09231 132.2
[M+HCOO]- 237.09325 159.7
[M+CH3COO]- 251.10890 183.1
[M+Na-2H]- 213.06972 143.8
[M]+ 192.09450 134.1
[M]- 192.09560 134.1
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