CID 67697

352-24-9

Structural Information

Molecular Formula
C6H8F2O3
SMILES
CCOC(=O)CC(=O)C(F)F
InChI
InChI=1S/C6H8F2O3/c1-2-11-5(10)3-4(9)6(7)8/h6H,2-3H2,1H3
InChIKey
CBDPWKVOPADMJC-UHFFFAOYSA-N
Compound name
ethyl 4,4-difluoro-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1282
Patents

166.04414 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 130.1
[M+Na]+ 189.03336 137.4
[M-H]- 165.03686 127.9
[M+NH4]+ 184.07796 150.5
[M+K]+ 205.00730 137.9
[M+H-H2O]+ 149.04140 123.7
[M+HCOO]- 211.04234 150.0
[M+CH3COO]- 225.05799 178.7
[M+Na-2H]- 187.01881 132.4
[M]+ 166.04359 129.9
[M]- 166.04469 129.9
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.