CID 77027

4-bromo-n-propylbenzenesulfonamide

Structural Information

Molecular Formula

C₉H₁₂BrNO₂S

SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C9H12BrNO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h3-6,11H,2,7H2,1H3

InChIKey

CZRKEJQELXKHAQ-UHFFFAOYSA-N

Compound name

4-bromo-N-propylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 276.9772 Da
Monoisotopic Mass: 2.5
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]+	277.984476	143.2
[M+Na]+	299.966418	154.9
[M-H]-	275.969924	149.7
[M+NH4]+	295.011023	163.5
[M+K]+	315.940358	142.5
[M+H-H2O]+	259.974460	143.0
[M+HCOO]-	321.975401	160.5
[M+CH3COO]-	335.991051	193.6
[M+Na-2H]-	297.951866	150.2
[M]+	276.97665142	164.2
[M]-	276.97774858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe