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]+ 189.035776 135.0
[M+Na]+ 211.017718 142.5
[M-H]- 187.021224 136.7
[M+NH4]+ 206.062323 154.5
[M+K]+ 226.991658 142.8
[M+H-H2O]+ 171.025760 128.0
[M+HCOO]- 233.026701 155.6
[M+CH3COO]- 247.042351 180.7
[M+Na-2H]- 209.003166 137.5
[M]+ 188.02795142 134.5
[M]- 188.02904858 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.