CID 167732815

En300-43393230

Structural Information

Molecular Formula
C17H25BFNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)F)OCC(=O)OC(C)(C)C
InChI
InChI=1S/C17H25BFNO5/c1-15(2,3)23-13(21)10-22-12-8-11(9-20-14(12)19)18-24-16(4,5)17(6,7)25-18/h8-9H,10H2,1-7H3
InChIKey
MWSLYTNJQRDRBP-UHFFFAOYSA-N
Compound name
tert-butyl 2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.18097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18825 175.3
[M+Na]+ 376.17019 184.2
[M-H]- 352.17369 181.4
[M+NH4]+ 371.21479 190.9
[M+K]+ 392.14413 185.5
[M+H-H2O]+ 336.17823 169.8
[M+HCOO]- 398.17917 190.9
[M+CH3COO]- 412.19482 213.0
[M+Na-2H]- 374.15564 179.1
[M]+ 353.18042 182.2
[M]- 353.18152 182.2
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.