CID 2773533

756520-78-2

Structural Information

Molecular Formula

C₇H₁₀BNO₄S

SMILES

B(C1=CC=CC=C1NS(=O)(=O)C)(O)O

InChI

InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h2-5,9-11H,1H3

InChIKey

RPRMOEFOTPSWBO-UHFFFAOYSA-N

Compound name

[2-(methanesulfonamido)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 326
Patents: 215.04236 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]+	216.04964	141.2
[M+Na]+	238.03158	148.4
[M-H]-	214.03508	142.5
[M+NH4]+	233.07618	158.4
[M+K]+	254.00552	145.5
[M+H-H2O]+	198.03962	135.8
[M+HCOO]-	260.04056	157.4
[M+CH3COO]-	274.05621	180.4
[M+Na-2H]-	236.01703	145.5
[M]+	215.04181	141.8
[M]-	215.04291	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe