CID 44119323

850568-74-0

Structural Information

Molecular Formula

C₆H₈BNO₄S

SMILES

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

InChI

InChI=1S/C6H8BNO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,(H2,8,11,12)

InChIKey

PMNJSWJJYWZLHU-UHFFFAOYSA-N

Compound name

(3-sulfamoylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 391
Patents: 201.0267 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]+	202.03398	138.7
[M+Na]+	224.01592	147.5
[M+NH4]+	219.06052	144.9
[M+K]+	239.98986	143.4
[M-H]-	200.01942	137.9
[M+Na-2H]-	222.00137	142.4
[M]+	201.02615	139.8
[M]-	201.02725	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe