CID 24722268

873548-10-8

Structural Information

Molecular Formula
C11H11FO4
SMILES
CCOC(=O)C(=O)C1=C(C=CC(=C1)F)OC
InChI
InChI=1S/C11H11FO4/c1-3-16-11(14)10(13)8-6-7(12)4-5-9(8)15-2/h4-6H,3H2,1-2H3
InChIKey
ROBOUAVAPGXKKB-UHFFFAOYSA-N
Compound name
ethyl 2-(5-fluoro-2-methoxyphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06413 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07141 144.5
[M+Na]+ 249.05335 152.9
[M-H]- 225.05685 147.3
[M+NH4]+ 244.09795 162.9
[M+K]+ 265.02729 152.1
[M+H-H2O]+ 209.06139 137.7
[M+HCOO]- 271.06233 166.7
[M+CH3COO]- 285.07798 189.8
[M+Na-2H]- 247.03880 147.4
[M]+ 226.06358 147.9
[M]- 226.06468 147.9
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.