CID 44185486

(z)-ethyl 2-(ethoxymethylene)-4,4-difluoro-3-oxobutanoate

Structural Information

Molecular Formula
C9H12F2O4
SMILES
CCO/C=C(/C(=O)C(F)F)\C(=O)OCC
InChI
InChI=1S/C9H12F2O4/c1-3-14-5-6(7(12)8(10)11)9(13)15-4-2/h5,8H,3-4H2,1-2H3/b6-5-
InChIKey
KDVPGBVZKTVEIS-WAYWQWQTSA-N
Compound name
ethyl (2Z)-2-(ethoxymethylidene)-4,4-difluoro-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

222.07036 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07764 145.4
[M+Na]+ 245.05958 151.5
[M-H]- 221.06308 142.7
[M+NH4]+ 240.10418 163.4
[M+K]+ 261.03352 151.7
[M+H-H2O]+ 205.06762 138.5
[M+HCOO]- 267.06856 163.8
[M+CH3COO]- 281.08421 189.0
[M+Na-2H]- 243.04503 144.9
[M]+ 222.06981 146.4
[M]- 222.07091 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe