CID 9839

406-06-4

Structural Information

Molecular Formula
C5H9FO2
SMILES
CC(C)OC(=O)CF
InChI
InChI=1S/C5H9FO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
InChIKey
HERCSPPGAAQXBN-UHFFFAOYSA-N
Compound name
propan-2-yl 2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

120.058655 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.065931 121.6
[M+Na]+ 143.047873 129.2
[M-H]- 119.051379 120.9
[M+NH4]+ 138.092478 144.1
[M+K]+ 159.021813 130.1
[M+H-H2O]+ 103.055915 116.5
[M+HCOO]- 165.056856 143.4
[M+CH3COO]- 179.072506 171.0
[M+Na-2H]- 141.033321 126.2
[M]+ 120.05810642 122.1
[M]- 120.05920358 122.1
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