PubChemLite - Potassium tetrakis(4-biphenylyl)borate (C48H36B)

Structural Information

Molecular Formula

SMILES

[B-](C1=CC=C(C=C1)C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8

InChI

InChI=1S/C48H36B/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40/h1-36H/q-1

InChIKey

PZDQIYUFPNSKTH-UHFFFAOYSA-N

Compound name

tetrakis(4-phenylphenyl)boranuide

Related CIDs

2D Structure

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]+	624.29828	251.2
[M+Na]+	646.28022	250.6
[M-H]-	622.28372	267.2
[M+NH4]+	641.32482	247.3
[M+K]+	662.25416	239.2
[M+H-H2O]+	606.28826	234.1
[M+HCOO]-	668.28920	264.1
[M+CH3COO]-	682.30485	252.8
[M+Na-2H]-	644.26567	249.8
[M]+	623.29045	240.6
[M]-	623.29155	240.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

624.29828

251.2

[M+Na]+

646.28022

250.6

[M-H]-

622.28372

267.2

[M+NH4]+

641.32482

247.3

[M+K]+

662.25416

239.2

[M+H-H2O]+

606.28826

234.1

[M+HCOO]-

668.28920

264.1

[M+CH3COO]-

682.30485

252.8

[M+Na-2H]-

644.26567

249.8

[M]+

623.29045

240.6

[M]-

623.29155

240.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Potassium tetrakis(4-biphenylyl)borate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe