CID 18476091

196861-33-3

Structural Information

Molecular Formula

C₁₂H₁₂BNO₃

SMILES

B(C1=C(C=CC(=C1)C2=CC=NC=C2)OC)(O)O

InChI

InChI=1S/C12H12BNO3/c1-17-12-3-2-10(8-11(12)13(15)16)9-4-6-14-7-5-9/h2-8,15-16H,1H3

InChIKey

QLNYKODXAPVKKX-UHFFFAOYSA-N

Compound name

(2-methoxy-5-pyridin-4-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 229.09102 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]+	230.09830	149.7
[M+Na]+	252.08024	163.6
[M+NH4]+	247.12484	157.2
[M+K]+	268.05418	157.7
[M-H]-	228.08374	152.4
[M+Na-2H]-	250.06569	157.9
[M]+	229.09047	152.4
[M]-	229.09157	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe