CID 12818

4-bromo-n,n-dimethylbenzenesulphonamide

Structural Information

Molecular Formula

C₈H₁₀BrNO₂S

SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChIKey

NQAUNPZZVCXYEJ-UHFFFAOYSA-N

Compound name

4-bromo-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 381
Patents: 262.96155 Da
Monoisotopic Mass: 2.0
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]+	263.968826	138.3
[M+Na]+	285.950768	150.6
[M-H]-	261.954274	146.5
[M+NH4]+	280.995373	159.7
[M+K]+	301.924708	139.8
[M+H-H2O]+	245.958810	138.2
[M+HCOO]-	307.959751	156.3
[M+CH3COO]-	321.975401	194.0
[M+Na-2H]-	283.936216	145.3
[M]+	262.96100142	160.2
[M]-	262.96209858	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe