CID 10160238

Tasisulam

Structural Information

Molecular Formula

C₁₁H₆BrCl₂NO₃S₂

SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)NS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)

InChIKey

WWONFUQGBVOKOF-UHFFFAOYSA-N

Compound name

N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 18
References: 792
Patents: 412.83496 Da
Monoisotopic Mass: 4.6
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]+	413.84224	163.7
[M+Na]+	435.82418	166.8
[M+NH4]+	430.86878	168.1
[M+K]+	451.79812	165.3
[M-H]-	411.82768	164.6
[M+Na-2H]-	433.80963	167.0
[M]+	412.83441	164.4
[M]-	412.83551	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe