CID 3064419

Ethyl fluoropropiolate

Structural Information

Molecular Formula
C5H5FO2
SMILES
CCOC(=O)C#CF
InChI
InChI=1S/C5H5FO2/c1-2-8-5(7)3-4-6/h2H2,1H3
InChIKey
LBAJCLACEDIJJC-UHFFFAOYSA-N
Compound name
ethyl 3-fluoroprop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

116.02736 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.03464 116.4
[M+Na]+ 139.01658 126.6
[M-H]- 115.02008 115.3
[M+NH4]+ 134.06118 136.7
[M+K]+ 154.99052 125.9
[M+H-H2O]+ 99.024620 105.6
[M+HCOO]- 161.02556 133.9
[M+CH3COO]- 175.04121 177.3
[M+Na-2H]- 137.00203 122.0
[M]+ 116.02681 111.7
[M]- 116.02791 111.7
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