CID 129977467

Ethyl 2-fluoro-2-(oxetan-3-ylidene)acetate

Structural Information

Molecular Formula
C7H9FO3
SMILES
CCOC(=O)C(=C1COC1)F
InChI
InChI=1S/C7H9FO3/c1-2-11-7(9)6(8)5-3-10-4-5/h2-4H2,1H3
InChIKey
ZLENGPIYFNYJAJ-UHFFFAOYSA-N
Compound name
ethyl 2-fluoro-2-(oxetan-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.05357 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.060846 129.0
[M+Na]+ 183.042788 134.1
[M-H]- 159.046294 131.7
[M+NH4]+ 178.087393 141.8
[M+K]+ 199.016728 138.3
[M+H-H2O]+ 143.050830 118.0
[M+HCOO]- 205.051771 148.0
[M+CH3COO]- 219.067421 178.9
[M+Na-2H]- 181.028236 133.3
[M]+ 160.05302142 137.2
[M]- 160.05411858 137.2
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

No patent data available for this compound.