CID 24957

Propyl 2-fluoroacetate

Structural Information

Molecular Formula
C5H9FO2
SMILES
CCCOC(=O)CF
InChI
InChI=1S/C5H9FO2/c1-2-3-8-5(7)4-6/h2-4H2,1H3
InChIKey
IRWIXUQVVIFUPL-UHFFFAOYSA-N
Compound name
propyl 2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

120.058655 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06593 121.4
[M+Na]+ 143.04787 129.2
[M-H]- 119.05138 120.6
[M+NH4]+ 138.09248 144.0
[M+K]+ 159.02181 129.7
[M+H-H2O]+ 103.05592 116.3
[M+HCOO]- 165.05686 144.2
[M+CH3COO]- 179.07251 170.1
[M+Na-2H]- 141.03332 127.3
[M]+ 120.05811 122.6
[M]- 120.05920 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

literature stripe

Patent stripe

patents stripe