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: 2040
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]+	215.087396	143.9
[M+Na]+	237.069338	150.7
[M-H]-	213.072844	148.2
[M+NH4]+	232.113943	160.8
[M+K]+	253.043278	147.5
[M+H-H2O]+	197.077380	137.2
[M+HCOO]-	259.078321	165.4
[M+CH3COO]-	273.093971	181.5
[M+Na-2H]-	235.054786	149.9
[M]+	214.07957142	143.0
[M]-	214.08066858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe