CID 44119345

913835-57-1

Structural Information

Molecular Formula

C₈H₁₂BNO₅S

SMILES

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

InChI

InChI=1S/C8H12BNO5S/c11-5-4-10-16(14,15)8-3-1-2-7(6-8)9(12)13/h1-3,6,10-13H,4-5H2

InChIKey

HSOUGLHWSPWPOM-UHFFFAOYSA-N

Compound name

[3-(2-hydroxyethylsulfamoyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 245.05292 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]+	246.06020	150.2
[M+Na]+	268.04214	157.8
[M+NH4]+	263.08674	155.2
[M+K]+	284.01608	153.9
[M-H]-	244.04564	148.4
[M+Na-2H]-	266.02759	152.9
[M]+	245.05237	150.7
[M]-	245.05347	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe