CID 5020191

[(2-bromophenyl)sulfamoyl]dimethylamine

Structural Information

Molecular Formula

C₈H₁₁BrN₂O₂S

SMILES

CN(C)S(=O)(=O)NC1=CC=CC=C1Br

InChI

InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3

InChIKey

UCJZXZTXNXADJL-UHFFFAOYSA-N

Compound name

1-bromo-2-(dimethylsulfamoylamino)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.97247 Da
Monoisotopic Mass: 1.5
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]+	278.979746	141.9
[M+Na]+	300.961688	153.1
[M-H]-	276.965194	149.8
[M+NH4]+	296.006293	162.2
[M+K]+	316.935628	141.9
[M+H-H2O]+	260.969730	140.8
[M+HCOO]-	322.970671	160.7
[M+CH3COO]-	336.986321	198.6
[M+Na-2H]-	298.947136	149.2
[M]+	277.97192142	162.9
[M]-	277.97301858	162.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.