CID 167715320

2-(2-ethoxyethoxy)ethyl 2-[(6-bromo-5-fluoropyridin-2-yl)oxy]acetate

Structural Information

Molecular Formula
C13H17BrFNO5
SMILES
CCOCCOCCOC(=O)COC1=NC(=C(C=C1)F)Br
InChI
InChI=1S/C13H17BrFNO5/c1-2-18-5-6-19-7-8-20-12(17)9-21-11-4-3-10(15)13(14)16-11/h3-4H,2,5-9H2,1H3
InChIKey
UWSLHKYHGYLOJM-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethoxy)ethyl 2-(6-bromo-5-fluoropyridin-2-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0274 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.03468 170.8
[M+Na]+ 388.01662 180.7
[M-H]- 364.02012 173.9
[M+NH4]+ 383.06122 185.8
[M+K]+ 403.99056 170.7
[M+H-H2O]+ 348.02466 167.7
[M+HCOO]- 410.02560 189.3
[M+CH3COO]- 424.04125 209.0
[M+Na-2H]- 386.00207 174.8
[M]+ 365.02685 196.0
[M]- 365.02795 196.0
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.