CID 9988

Ethyl fluoroacetate

Structural Information

Molecular Formula
C4H7FO2
SMILES
CCOC(=O)CF
InChI
InChI=1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey
VCYZVXRKYPKDQB-UHFFFAOYSA-N
Compound name
ethyl 2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

3039
Patents

106.04301 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.050286 116.6
[M+Na]+ 129.032228 124.9
[M-H]- 105.035734 116.0
[M+NH4]+ 124.076833 139.8
[M+K]+ 145.006168 125.7
[M+H-H2O]+ 89.040270 111.7
[M+HCOO]- 151.041211 139.8
[M+CH3COO]- 165.056861 167.1
[M+Na-2H]- 127.017676 123.1
[M]+ 106.04246142 117.5
[M]- 106.04355858 117.5
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