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]+ 209.09723 143.8
[M+Na]+ 231.07917 150.9
[M-H]- 207.08267 147.8
[M+NH4]+ 226.12377 163.8
[M+K]+ 247.05311 147.5
[M+H-H2O]+ 191.08721 137.0
[M+HCOO]- 253.08815 162.6
[M+CH3COO]- 267.10380 182.1
[M+Na-2H]- 229.06462 148.5
[M]+ 208.08940 138.2
[M]- 208.09050 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.