CID 4063828

480438-97-9

Structural Information

Molecular Formula
C8H6F2O3
SMILES
C1=COC(=C1)C(=O)CC(=O)C(F)F
InChI
InChI=1S/C8H6F2O3/c9-8(10)6(12)4-5(11)7-2-1-3-13-7/h1-3,8H,4H2
InChIKey
RBNCWOLHQIFKHV-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-(furan-2-yl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0285 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03578 135.0
[M+Na]+ 211.01772 142.5
[M-H]- 187.02122 136.7
[M+NH4]+ 206.06232 154.5
[M+K]+ 226.99166 142.8
[M+H-H2O]+ 171.02576 128.0
[M+HCOO]- 233.02670 155.6
[M+CH3COO]- 247.04235 180.7
[M+Na-2H]- 209.00317 137.5
[M]+ 188.02795 134.5
[M]- 188.02905 134.5
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.