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

2951
Patents

106.04301 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.05029 116.6
[M+Na]+ 129.03223 124.9
[M-H]- 105.03573 116.0
[M+NH4]+ 124.07683 139.8
[M+K]+ 145.00617 125.7
[M+H-H2O]+ 89.040270 111.7
[M+HCOO]- 151.04121 139.8
[M+CH3COO]- 165.05686 167.1
[M+Na-2H]- 127.01768 123.1
[M]+ 106.04246 117.5
[M]- 106.04356 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.