CID 52988044

Ethyl 2,2-difluoro-2-(furan-2-yl)acetate

Structural Information

Molecular Formula
C8H8F2O3
SMILES
CCOC(=O)C(C1=CC=CO1)(F)F
InChI
InChI=1S/C8H8F2O3/c1-2-12-7(11)8(9,10)6-4-3-5-13-6/h3-5H,2H2,1H3
InChIKey
UFNHKEQFAYJESB-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-2-(furan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04414 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05142 134.9
[M+Na]+ 213.03336 143.2
[M-H]- 189.03686 136.8
[M+NH4]+ 208.07796 154.9
[M+K]+ 229.00730 143.6
[M+H-H2O]+ 173.04140 128.5
[M+HCOO]- 235.04234 155.8
[M+CH3COO]- 249.05799 179.4
[M+Na-2H]- 211.01881 140.8
[M]+ 190.04359 135.8
[M]- 190.04469 135.8
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.