CID 121253

4-bromo-n-isopropylbenzenesulphonamide

Structural Information

Molecular Formula

C₉H₁₂BrNO₂S

SMILES

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

InChI

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

InChIKey

WQHMEBIEXOFZHD-UHFFFAOYSA-N

Compound name

4-bromo-N-propan-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 86
Patents: 276.9772 Da
Monoisotopic Mass: 2.4
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	143.5
[M+Na]+	299.96642	154.8
[M-H]-	275.96992	150.1
[M+NH4]+	295.01102	163.6
[M+K]+	315.94036	142.9
[M+H-H2O]+	259.97446	143.3
[M+HCOO]-	321.97540	159.7
[M+CH3COO]-	335.99105	194.4
[M+Na-2H]-	297.95187	149.5
[M]+	276.97665	163.9
[M]-	276.97775	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe