CID 89694410

1-(4,4-difluoro-1-hydroxycyclohexyl)ethan-1-one

Structural Information

Molecular Formula
C8H12F2O2
SMILES
CC(=O)C1(CCC(CC1)(F)F)O
InChI
InChI=1S/C8H12F2O2/c1-6(11)7(12)2-4-8(9,10)5-3-7/h12H,2-5H2,1H3
InChIKey
DGGKEOWYDYZUIC-UHFFFAOYSA-N
Compound name
1-(4,4-difluoro-1-hydroxycyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

178.08054 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08782 134.4
[M+Na]+ 201.06976 141.7
[M-H]- 177.07326 134.1
[M+NH4]+ 196.11436 157.7
[M+K]+ 217.04370 140.4
[M+H-H2O]+ 161.07780 129.5
[M+HCOO]- 223.07874 151.0
[M+CH3COO]- 237.09439 176.7
[M+Na-2H]- 199.05521 139.0
[M]+ 178.07999 128.1
[M]- 178.08109 128.1
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