CID 54093852

Methyl 3-fluoro-2-methylpropanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

120.058655 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06593 121.6
[M+Na]+ 143.04787 129.2
[M-H]- 119.05138 120.9
[M+NH4]+ 138.09248 144.1
[M+K]+ 159.02181 130.1
[M+H-H2O]+ 103.05592 116.5
[M+HCOO]- 165.05686 143.4
[M+CH3COO]- 179.07251 171.0
[M+Na-2H]- 141.03332 126.2
[M]+ 120.05811 122.1
[M]- 120.05920 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