CID 265947

Ethyl 2-fluoropropionate

Structural Information

Molecular Formula
C5H9FO2
SMILES
CCOC(=O)C(C)F
InChI
InChI=1S/C5H9FO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
InChIKey
ODMITNOQNBVSQG-UHFFFAOYSA-N
Compound name
ethyl 2-fluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

610
Patents

120.058655 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.065931 121.6
[M+Na]+ 143.047873 129.2
[M-H]- 119.051379 120.9
[M+NH4]+ 138.092478 144.1
[M+K]+ 159.021813 130.1
[M+H-H2O]+ 103.055915 116.5
[M+HCOO]- 165.056856 143.4
[M+CH3COO]- 179.072506 171.0
[M+Na-2H]- 141.033321 126.2
[M]+ 120.05810642 122.1
[M]- 120.05920358 122.1
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