CID 4962735

Methyl 2-fluoro-3,3,3-trimethoxypropanoate

Structural Information

Molecular Formula
C7H13FO5
SMILES
COC(=O)C(C(OC)(OC)OC)F
InChI
InChI=1S/C7H13FO5/c1-10-6(9)5(8)7(11-2,12-3)13-4/h5H,1-4H3
InChIKey
OCVWVNNAUUPJJH-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-3,3,3-trimethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

196.0747 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08198 138.2
[M+Na]+ 219.06392 145.3
[M-H]- 195.06742 137.4
[M+NH4]+ 214.10852 157.7
[M+K]+ 235.03786 147.6
[M+H-H2O]+ 179.07196 132.8
[M+HCOO]- 241.07290 158.6
[M+CH3COO]- 255.08855 183.3
[M+Na-2H]- 217.04937 142.9
[M]+ 196.07415 143.5
[M]- 196.07525 143.5
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.