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

321
Patents

120.058655 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06593 120.6
[M+Na]+ 143.04787 129.0
[M-H]- 119.05138 120.3
[M+NH4]+ 138.09248 143.4
[M+K]+ 159.02181 129.9
[M+H-H2O]+ 103.05592 116.3
[M+HCOO]- 165.05686 142.0
[M+CH3COO]- 179.07251 170.4
[M+Na-2H]- 141.03332 127.3
[M]+ 120.05811 121.4
[M]- 120.05920 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