CID 46221962

444094-88-6

Structural Information

Molecular Formula

C₁₄H₂₀BClO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)CCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H20BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-8H,9-10H2,1-4H3

InChIKey

BUSKOHHHQUMTIT-UHFFFAOYSA-N

Compound name

2-[2-(4-chlorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 266.12448 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]+	267.13176	156.0
[M+Na]+	289.11370	165.8
[M-H]-	265.11720	164.4
[M+NH4]+	284.15830	177.2
[M+K]+	305.08764	163.8
[M+H-H2O]+	249.12174	152.1
[M+HCOO]-	311.12268	172.1
[M+CH3COO]-	325.13833	195.6
[M+Na-2H]-	287.09915	161.1
[M]+	266.12393	161.3
[M]-	266.12503	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe