CID 18533253

Benzene-1,3,5-triyltriboronic acid

Structural Information

Molecular Formula

C₆H₉B₃O₆

SMILES

B(C1=CC(=CC(=C1)B(O)O)B(O)O)(O)O

InChI

InChI=1S/C6H9B3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,10-15H

InChIKey

NAIUYXOLMQYLIG-UHFFFAOYSA-N

Compound name

(3,5-diboronophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 210.06783 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]+	211.07511	141.1
[M+Na]+	233.05705	148.7
[M+NH4]+	228.10165	145.4
[M+K]+	249.03099	148.8
[M-H]-	209.06055	137.7
[M+Na-2H]-	231.04250	142.0
[M]+	210.06728	140.6
[M]-	210.06838	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe