CID 2773253

2-benzyloxyphenylboronic acid

Structural Information

Molecular Formula

C₁₃H₁₃BO₃

SMILES

B(C1=CC=CC=C1OCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C13H13BO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9,15-16H,10H2

InChIKey

MCAIDINWZOCYQK-UHFFFAOYSA-N

Compound name

(2-phenylmethoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 637
Patents: 228.09578 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]+	229.10306	150.1
[M+Na]+	251.08500	163.7
[M+NH4]+	246.12960	158.3
[M+K]+	267.05894	157.1
[M-H]-	227.08850	153.6
[M+Na-2H]-	249.07045	158.8
[M]+	228.09523	153.0
[M]-	228.09633	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe