CID 2734377

4-phenoxyphenylboronic acid

Structural Information

Molecular Formula

C₁₂H₁₁BO₃

SMILES

B(C1=CC=C(C=C1)OC2=CC=CC=C2)(O)O

InChI

InChI=1S/C12H11BO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9,14-15H

InChIKey

KFXUHRXGLWUOJT-UHFFFAOYSA-N

Compound name

(4-phenoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1917
Patents: 214.08012 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]+	215.08740	145.5
[M+Na]+	237.06934	159.3
[M+NH4]+	232.11394	153.9
[M+K]+	253.04328	153.0
[M-H]-	213.07284	149.0
[M+Na-2H]-	235.05479	154.5
[M]+	214.07957	148.5
[M]-	214.08067	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe