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

1
Annotation Hits: 0
References: 11
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]+	277.98448	141.2
[M+Na]+	299.96642	143.2
[M+NH4]+	295.01102	145.6
[M+K]+	315.94036	142.5
[M-H]-	275.96992	141.4
[M+Na-2H]-	297.95187	144.7
[M]+	276.97665	140.7
[M]-	276.97775	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe