CID 2773420

352530-24-6

Structural Information

Molecular Formula

C₈H₁₁BO₄S

SMILES

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

InChI

InChI=1S/C8H11BO4S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3

InChIKey

CVBNDDGEVPNUNA-UHFFFAOYSA-N

Compound name

(4-ethylsulfonylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 373
Patents: 214.0471 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]+	215.05438	143.8
[M+Na]+	237.03632	153.9
[M+NH4]+	232.08092	150.4
[M+K]+	253.01026	148.6
[M-H]-	213.03982	143.0
[M+Na-2H]-	235.02177	147.8
[M]+	214.04655	145.3
[M]-	214.04765	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe