CID 11989651

4-biphenylboronic acid pinacol ester

Structural Information

Molecular Formula

C₁₈H₂₁BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21BO2/c1-17(2)18(3,4)21-19(20-17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13H,1-4H3

InChIKey

REDKQKNJWVIPIO-UHFFFAOYSA-N

Compound name

4,4,5,5-tetramethyl-2-(4-phenylphenyl)-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 222
Patents: 280.16345 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]+	281.17073	162.5
[M+Na]+	303.15267	171.5
[M-H]-	279.15617	174.3
[M+NH4]+	298.19727	181.8
[M+K]+	319.12661	170.1
[M+H-H2O]+	263.16071	156.1
[M+HCOO]-	325.16165	183.4
[M+CH3COO]-	339.17730	176.0
[M+Na-2H]-	301.13812	167.6
[M]+	280.16290	164.7
[M]-	280.16400	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe