CID 44119538

221290-14-8

Structural Information

Molecular Formula

C₁₀H₁₆BNO₄S

SMILES

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

InChI

InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-6-4-5-8(7-9)11(13)14/h4-7,12-14H,1-3H3

InChIKey

LSSASZPAKWQFHO-UHFFFAOYSA-N

Compound name

[3-(tert-butylsulfamoyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 257.0893 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]+	258.09658	156.8
[M+Na]+	280.07852	164.8
[M+NH4]+	275.12312	162.3
[M+K]+	296.05246	160.8
[M-H]-	256.08202	155.4
[M+Na-2H]-	278.06397	160.0
[M]+	257.08875	157.8
[M]-	257.08985	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe