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]+ 165.07216 131.7
[M+Na]+ 187.05410 136.7
[M-H]- 163.05760 132.5
[M+NH4]+ 182.09870 150.4
[M+K]+ 203.02804 137.4
[M+H-H2O]+ 147.06214 124.5
[M+HCOO]- 209.06308 148.2
[M+CH3COO]- 223.07873 176.7
[M+Na-2H]- 185.03955 135.3
[M]+ 164.06433 125.7
[M]- 164.06543 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.