CID 16218323

480424-63-3

Structural Information

Molecular Formula

C₉H₁₁BO₄

SMILES

B(C1=CC(=C(C=C1)OCC)C=O)(O)O

InChI

InChI=1S/C9H11BO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-6,12-13H,2H2,1H3

InChIKey

ODRRAKCLFURNFU-UHFFFAOYSA-N

Compound name

(4-ethoxy-3-formylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 194.07504 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]+	195.08232	139.6
[M+Na]+	217.06426	150.9
[M+NH4]+	212.10886	146.3
[M+K]+	233.03820	146.5
[M-H]-	193.06776	139.5
[M+Na-2H]-	215.04971	144.2
[M]+	194.07449	140.9
[M]-	194.07559	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe