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

1
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

literature stripe

Patent stripe

patents stripe