CID 116176237

4,4-difluoro-1-(oxolan-3-yl)butane-1,3-dione

Structural Information

Molecular Formula
C8H10F2O3
SMILES
C1COCC1C(=O)CC(=O)C(F)F
InChI
InChI=1S/C8H10F2O3/c9-8(10)7(12)3-6(11)5-1-2-13-4-5/h5,8H,1-4H2
InChIKey
PVCFZWDOCWZOJF-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-(oxolan-3-yl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0598 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06708 138.9
[M+Na]+ 215.04902 144.4
[M-H]- 191.05252 139.8
[M+NH4]+ 210.09362 158.1
[M+K]+ 231.02296 145.0
[M+H-H2O]+ 175.05706 132.0
[M+HCOO]- 237.05800 156.6
[M+CH3COO]- 251.07365 181.5
[M+Na-2H]- 213.03447 139.5
[M]+ 192.05925 135.5
[M]- 192.06035 135.5
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.