CID 138987147

2-fluoro-3-ethoxypyridine-5-boronic acid pinacol ester

Structural Information

Molecular Formula
C13H19BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)F)OCC
InChI
InChI=1S/C13H19BFNO3/c1-6-17-10-7-9(8-16-11(10)15)14-18-12(2,3)13(4,5)19-14/h7-8H,6H2,1-5H3
InChIKey
JGKVIODMSIMPSN-UHFFFAOYSA-N
Compound name
3-ethoxy-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1442 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15148 153.5
[M+Na]+ 290.13342 163.9
[M-H]- 266.13692 159.9
[M+NH4]+ 285.17802 172.7
[M+K]+ 306.10736 164.3
[M+H-H2O]+ 250.14146 147.5
[M+HCOO]- 312.14240 172.5
[M+CH3COO]- 326.15805 197.5
[M+Na-2H]- 288.11887 158.6
[M]+ 267.14365 158.0
[M]- 267.14475 158.0
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.