CID 103759707

2,2-difluoro-1-(oxan-3-yl)ethan-1-one

Structural Information

Molecular Formula
C7H10F2O2
SMILES
C1CC(COC1)C(=O)C(F)F
InChI
InChI=1S/C7H10F2O2/c8-7(9)6(10)5-2-1-3-11-4-5/h5,7H,1-4H2
InChIKey
AEJBJZKPROGWSU-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(oxan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 131.7
[M+Na]+ 187.054098 136.7
[M-H]- 163.057604 132.5
[M+NH4]+ 182.098703 150.4
[M+K]+ 203.028038 137.4
[M+H-H2O]+ 147.062140 124.5
[M+HCOO]- 209.063081 148.2
[M+CH3COO]- 223.078731 176.7
[M+Na-2H]- 185.039546 135.3
[M]+ 164.06433142 125.7
[M]- 164.06542858 125.7
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.