CID 65917734

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

Structural Information

Molecular Formula
C12H13FO2
SMILES
C1CC(CCC1=O)(C2=CC(=CC=C2)F)O
InChI
InChI=1S/C12H13FO2/c13-10-3-1-2-9(8-10)12(15)6-4-11(14)5-7-12/h1-3,8,15H,4-7H2
InChIKey
YQCKMDRTWIMKNB-UHFFFAOYSA-N
Compound name
4-(3-fluorophenyl)-4-hydroxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.08995 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.097226 143.8
[M+Na]+ 231.079168 150.9
[M-H]- 207.082674 147.8
[M+NH4]+ 226.123773 163.8
[M+K]+ 247.053108 147.5
[M+H-H2O]+ 191.087210 137.0
[M+HCOO]- 253.088151 162.6
[M+CH3COO]- 267.103801 182.1
[M+Na-2H]- 229.064616 148.5
[M]+ 208.08940142 138.2
[M]- 208.09049858 138.2
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

No patent data available for this compound.