CID 75486169

5-chloro-2-methoxypyridine-4-boronic acid pinacol ester

Structural Information

Molecular Formula
C12H17BClNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2Cl)OC
InChI
InChI=1S/C12H17BClNO3/c1-11(2)12(3,4)18-13(17-11)8-6-10(16-5)15-7-9(8)14/h6-7H,1-5H3
InChIKey
QSPAGXHWLPNPTN-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-4-(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

269.099 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10628 153.7
[M+Na]+ 292.08822 167.7
[M+NH4]+ 287.13282 164.5
[M+K]+ 308.06216 160.3
[M-H]- 268.09172 159.0
[M+Na-2H]- 290.07367 161.9
[M]+ 269.09845 158.0
[M]- 269.09955 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.