CID 8777805

204850-96-4

Structural Information

Molecular Formula

C₈H₁₀BrNO₂S

SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC

InChI

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

InChIKey

SGSUJQYIGUWVGW-UHFFFAOYSA-N

Compound name

5-bromo-N,2-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 262.96155 Da
Monoisotopic Mass: 1.9
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	138.1
[M+Na]+	285.950768	151.0
[M-H]-	261.954274	145.2
[M+NH4]+	280.995373	159.2
[M+K]+	301.924708	138.8
[M+H-H2O]+	245.958810	138.2
[M+HCOO]-	307.959751	155.6
[M+CH3COO]-	321.975401	191.9
[M+Na-2H]-	283.936216	145.0
[M]+	262.96100142	159.1
[M]-	262.96209858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe