CID 2734352

4-ethylphenylboronic acid

Structural Information

Molecular Formula

C₈H₁₁BO₂

SMILES

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

InChI

InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3

InChIKey

RZCPLOMUUCFPQA-UHFFFAOYSA-N

Compound name

(4-ethylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1736
Patents: 150.0852 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]+	151.09248	130.0
[M+Na]+	173.07442	142.1
[M+NH4]+	168.11902	138.4
[M+K]+	189.04836	136.8
[M-H]-	149.07792	131.3
[M+Na-2H]-	171.05987	136.2
[M]+	150.08465	132.0
[M]-	150.08575	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe