CID 2757187

286932-39-6

Structural Information

Molecular Formula

C₈H₁₂BrNO₂S₂

SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(S1)Br

InChI

InChI=1S/C8H12BrNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3

InChIKey

KWUYZYHIQKPORJ-UHFFFAOYSA-N

Compound name

5-bromo-N-tert-butylthiophene-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 296.94928 Da
Monoisotopic Mass: 2.9
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]+	297.95656	143.4
[M+Na]+	319.93850	143.1
[M+NH4]+	314.98310	147.6
[M+K]+	335.91244	143.9
[M-H]-	295.94200	142.4
[M+Na-2H]-	317.92395	144.7
[M]+	296.94873	142.6
[M]-	296.94983	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe