CID 9793744

Methyl 2-fluoro-2-methylpropionate

Structural Information

Molecular Formula
C5H9FO2
SMILES
CC(C)(C(=O)OC)F
InChI
InChI=1S/C5H9FO2/c1-5(2,6)4(7)8-3/h1-3H3
InChIKey
OEGBOFOVYSOERL-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

312
Patents

120.058655 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.065931 120.6
[M+Na]+ 143.047873 129.0
[M-H]- 119.051379 120.3
[M+NH4]+ 138.092478 143.4
[M+K]+ 159.021813 129.9
[M+H-H2O]+ 103.055915 116.3
[M+HCOO]- 165.056856 142.0
[M+CH3COO]- 179.072506 170.4
[M+Na-2H]- 141.033321 127.3
[M]+ 120.05810642 121.4
[M]- 120.05920358 121.4
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