CID 44516386

408492-27-3

Structural Information

Molecular Formula

C₁₁H₁₄BCl₂NO₂

SMILES

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

InChI

InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)15-9(14)6-7/h5-6H,1-4H3

InChIKey

PEFDHAOFDBNZEQ-UHFFFAOYSA-N

Compound name

2,6-dichloro-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: 130
Patents: 273.04947 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]+	274.05675	151.3
[M+Na]+	296.03869	163.2
[M-H]-	272.04219	158.1
[M+NH4]+	291.08329	171.3
[M+K]+	312.01263	160.6
[M+H-H2O]+	256.04673	147.3
[M+HCOO]-	318.04767	161.8
[M+CH3COO]-	332.06332	195.0
[M+Na-2H]-	294.02414	156.2
[M]+	273.04892	157.1
[M]-	273.05002	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe