CID 82367

10117-10-9

Structural Information

Molecular Formula
C5H9FO2
SMILES
CCOC(=O)CCF
InChI
InChI=1S/C5H9FO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
InChIKey
HGWFSORGJISSEQ-UHFFFAOYSA-N
Compound name
ethyl 3-fluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
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 121.4
[M+Na]+ 143.047873 129.2
[M-H]- 119.051379 120.6
[M+NH4]+ 138.092478 144.0
[M+K]+ 159.021813 129.7
[M+H-H2O]+ 103.055915 116.3
[M+HCOO]- 165.056856 144.2
[M+CH3COO]- 179.072506 170.1
[M+Na-2H]- 141.033321 127.3
[M]+ 120.05810642 122.6
[M]- 120.05920358 122.6
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

patents stripe