CID 17750491

652148-92-0

Structural Information

Molecular Formula

C₁₁H₁₅BClNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=NC(=CC=C2)Cl

InChI

InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-9(13)14-8/h5-7H,1-4H3

InChIKey

CROJXBLQCOIOBI-UHFFFAOYSA-N

Compound name

2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 239.08844 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.09572	146.9
[M+Na]+	262.07766	161.2
[M+NH4]+	257.12226	158.5
[M+K]+	278.05160	153.3
[M-H]-	238.08116	152.7
[M+Na-2H]-	260.06311	155.9
[M]+	239.08789	151.4
[M]-	239.08899	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe