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]+ 163.056516 129.6
[M+Na]+ 185.038458 135.7
[M-H]- 161.041964 130.8
[M+NH4]+ 180.083063 148.5
[M+K]+ 201.012398 136.2
[M+H-H2O]+ 145.046500 122.4
[M+HCOO]- 207.047441 147.6
[M+CH3COO]- 221.063091 176.3
[M+Na-2H]- 183.023906 134.2
[M]+ 162.04869142 125.1
[M]- 162.04978858 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.