CID 68055

Dichloramine b

Structural Information

Molecular Formula

C₆H₅Cl₂NO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)N(Cl)Cl

InChI

InChI=1S/C6H5Cl2NO2S/c7-9(8)12(10,11)6-4-2-1-3-5-6/h1-5H

InChIKey

PJBJJXCZRAHMCK-UHFFFAOYSA-N

Compound name

N,N-dichlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 862
Patents: 224.9418 Da
Monoisotopic Mass: 2.1
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]+	225.949076	138.9
[M+Na]+	247.931018	148.6
[M-H]-	223.934524	144.3
[M+NH4]+	242.975623	159.1
[M+K]+	263.904958	144.7
[M+H-H2O]+	207.939060	135.2
[M+HCOO]-	269.940001	150.3
[M+CH3COO]-	283.955651	185.6
[M+Na-2H]-	245.916466	144.5
[M]+	224.94125142	144.2
[M]-	224.94234858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe