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

11
Patents

239.08844 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09572 145.9
[M+Na]+ 262.07766 156.8
[M-H]- 238.08116 153.3
[M+NH4]+ 257.12226 166.8
[M+K]+ 278.05160 155.7
[M+H-H2O]+ 222.08570 141.2
[M+HCOO]- 284.08664 161.6
[M+CH3COO]- 298.10229 189.3
[M+Na-2H]- 260.06311 152.3
[M]+ 239.08789 150.5
[M]- 239.08899 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