CID 2734341

2,4-dimethoxyphenylboronic acid

Structural Information

Molecular Formula

C₈H₁₁BO₄

SMILES

B(C1=C(C=C(C=C1)OC)OC)(O)O

InChI

InChI=1S/C8H11BO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5,10-11H,1-2H3

InChIKey

SQTUYFKNCCBFRR-UHFFFAOYSA-N

Compound name

(2,4-dimethoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2209
Patents: 182.07504 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]+	183.08232	135.8
[M+Na]+	205.06426	147.3
[M+NH4]+	200.10886	143.0
[M+K]+	221.03820	143.2
[M-H]-	181.06776	136.0
[M+Na-2H]-	203.04971	140.8
[M]+	182.07449	137.3
[M]-	182.07559	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe