CID 83854454

1-(3,3-difluorocyclohexyl)ethan-1-one

Structural Information

Molecular Formula
C8H12F2O
SMILES
CC(=O)C1CCCC(C1)(F)F
InChI
InChI=1S/C8H12F2O/c1-6(11)7-3-2-4-8(9,10)5-7/h7H,2-5H2,1H3
InChIKey
PXIFFLQKVVOCKT-UHFFFAOYSA-N
Compound name
1-(3,3-difluorocyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08562 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09290 131.5
[M+Na]+ 185.07484 138.2
[M-H]- 161.07834 132.2
[M+NH4]+ 180.11944 154.1
[M+K]+ 201.04878 137.0
[M+H-H2O]+ 145.08288 125.4
[M+HCOO]- 207.08382 149.3
[M+CH3COO]- 221.09947 177.6
[M+Na-2H]- 183.06029 135.3
[M]+ 162.08507 125.1
[M]- 162.08617 125.1
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

No patent data available for this compound.