CID 2734313

3-benzyloxyphenylboronic acid

Structural Information

Molecular Formula

C₁₃H₁₃BO₃

SMILES

B(C1=CC(=CC=C1)OCC2=CC=CC=C2)(O)O

InChI

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

InChIKey

WIJNYNBSPQMJGO-UHFFFAOYSA-N

Compound name

(3-phenylmethoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 909
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]+	229.103056	148.6
[M+Na]+	251.084998	154.9
[M-H]-	227.088504	152.6
[M+NH4]+	246.129603	164.9
[M+K]+	267.058938	151.5
[M+H-H2O]+	211.093040	141.6
[M+HCOO]-	273.093981	169.7
[M+CH3COO]-	287.109631	184.5
[M+Na-2H]-	249.070446	154.0
[M]+	228.09523142	148.0
[M]-	228.09632858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe