CID 82367

Ethyl 3-fluoropropanoate

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

116
Patents

120.058655 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06593 123.5
[M+Na]+ 143.04787 133.1
[M+NH4]+ 138.09248 130.7
[M+K]+ 159.02181 128.1
[M-H]- 119.05138 121.1
[M+Na-2H]- 141.03332 126.7
[M]+ 120.05811 123.8
[M]- 120.05920 123.8
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

patents stripe