CID 9356084

4-bromo-n-(prop-2-yn-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula

C₉H₈BrNO₂S

SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C9H8BrNO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h1,3-6,11H,7H2

InChIKey

AYNNGEFJIDKPQN-UHFFFAOYSA-N

Compound name

4-bromo-N-prop-2-ynylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.94592 Da
Monoisotopic Mass: 1.7
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]+	273.95320	138.3
[M+Na]+	295.93514	141.2
[M+NH4]+	290.97974	139.9
[M+K]+	311.90908	137.8
[M-H]-	271.93864	131.7
[M+Na-2H]-	293.92059	139.6
[M]+	272.94537	135.4
[M]-	272.94647	135.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.