CID 104058466

1-(3,4-dihydro-2h-pyran-5-yl)-2,2-difluoroethan-1-one

Structural Information

Molecular Formula
C7H8F2O2
SMILES
C1CC(=COC1)C(=O)C(F)F
InChI
InChI=1S/C7H8F2O2/c8-7(9)6(10)5-2-1-3-11-4-5/h4,7H,1-3H2
InChIKey
DHRWTKCAKZZFGR-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05652 129.6
[M+Na]+ 185.03846 135.7
[M-H]- 161.04196 130.8
[M+NH4]+ 180.08306 148.5
[M+K]+ 201.01240 136.2
[M+H-H2O]+ 145.04650 122.4
[M+HCOO]- 207.04744 147.6
[M+CH3COO]- 221.06309 176.3
[M+Na-2H]- 183.02391 134.2
[M]+ 162.04869 125.1
[M]- 162.04979 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.