CID 199072

3665-12-1

Structural Information

Molecular Formula

C₁₁H₉BrN₂O₂S

SMILES

C1=CC(=CN=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H9BrN2O2S/c12-9-3-5-11(6-4-9)17(15,16)14-10-2-1-7-13-8-10/h1-8,14H

InChIKey

CJFQZXSNXVPFPH-UHFFFAOYSA-N

Compound name

4-bromo-N-pyridin-3-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 311.95682 Da
Monoisotopic Mass: 2.2
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]+	312.96410	149.0
[M+Na]+	334.94604	161.1
[M-H]-	310.94954	157.4
[M+NH4]+	329.99064	166.4
[M+K]+	350.91998	148.3
[M+H-H2O]+	294.95408	148.1
[M+HCOO]-	356.95502	166.2
[M+CH3COO]-	370.97067	197.7
[M+Na-2H]-	332.93149	158.0
[M]+	311.95627	169.0
[M]-	311.95737	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe