CID 132371492

Methyl 3-fluoro-4-oxooxane-3-carboxylate

Structural Information

Molecular Formula
C7H9FO4
SMILES
COC(=O)C1(COCCC1=O)F
InChI
InChI=1S/C7H9FO4/c1-11-6(10)7(8)4-12-3-2-5(7)9/h2-4H2,1H3
InChIKey
IPTAUGNDVQBADV-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-4-oxooxane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.0485 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05578 131.1
[M+Na]+ 199.03772 138.5
[M-H]- 175.04122 134.0
[M+NH4]+ 194.08232 151.8
[M+K]+ 215.01166 139.9
[M+H-H2O]+ 159.04576 125.8
[M+HCOO]- 221.04670 150.3
[M+CH3COO]- 235.06235 176.4
[M+Na-2H]- 197.02317 137.4
[M]+ 176.04795 129.9
[M]- 176.04905 129.9
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.