CID 12067061

452972-12-2

Structural Information

Molecular Formula

C₁₁H₁₅BBrNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)Br

InChI

InChI=1S/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3

InChIKey

QAQDSIBZRCSYAR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 283.03793 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]+	284.04521	150.3
[M+Na]+	306.02715	163.4
[M-H]-	282.03065	160.3
[M+NH4]+	301.07175	172.2
[M+K]+	322.00109	155.7
[M+H-H2O]+	266.03519	151.7
[M+HCOO]-	328.03613	168.6
[M+CH3COO]-	342.05178	195.2
[M+Na-2H]-	304.01260	158.2
[M]+	283.03738	172.0
[M]-	283.03848	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe