CID 42614545

5-chloropyridine-2-boronic acid pinacol ester

Structural Information

Molecular Formula
C11H15BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NC=C(C=C2)Cl
InChI
InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)9-6-5-8(13)7-14-9/h5-7H,1-4H3
InChIKey
RWOCXFPQPISTSD-UHFFFAOYSA-N
Compound name
5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

239.08844 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.095716 145.9
[M+Na]+ 262.077658 156.8
[M-H]- 238.081164 153.3
[M+NH4]+ 257.122263 166.8
[M+K]+ 278.051598 155.7
[M+H-H2O]+ 222.085700 141.2
[M+HCOO]- 284.086641 161.6
[M+CH3COO]- 298.102291 189.3
[M+Na-2H]- 260.063106 152.3
[M]+ 239.08789142 150.5
[M]- 239.08898858 150.5
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

patents stripe