CID 46739558

2-chloro-6-(ethoxycarbonyl)pyridine-4-boronic acid, pinacol ester

Structural Information

Molecular Formula
C14H19BClNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)Cl)C(=O)OCC
InChI
InChI=1S/C14H19BClNO4/c1-6-19-12(18)10-7-9(8-11(16)17-10)15-20-13(2,3)14(4,5)21-15/h7-8H,6H2,1-5H3
InChIKey
JOOSYBYWNZTCQF-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.10956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11684 163.0
[M+Na]+ 334.09878 173.4
[M-H]- 310.10228 170.5
[M+NH4]+ 329.14338 181.1
[M+K]+ 350.07272 172.7
[M+H-H2O]+ 294.10682 158.5
[M+HCOO]- 356.10776 177.4
[M+CH3COO]- 370.12341 203.1
[M+Na-2H]- 332.08423 166.7
[M]+ 311.10901 170.8
[M]- 311.11011 170.8
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.