CID 87108

17418-80-3

Structural Information

Molecular Formula

C₈H₁₀Cl₂N₂O₂S

SMILES

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

InChI

InChI=1S/C8H10Cl2N2O2S/c1-12(2)15(13,14)5-3-6(9)8(11)7(10)4-5/h3-4H,11H2,1-2H3

InChIKey

YTXJRMFOPUQURY-UHFFFAOYSA-N

Compound name

4-amino-3,5-dichloro-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 267.984 Da
Monoisotopic Mass: 1.6
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]+	268.991276	152.2
[M+Na]+	290.973218	162.5
[M-H]-	266.976724	157.4
[M+NH4]+	286.017823	170.8
[M+K]+	306.947158	157.8
[M+H-H2O]+	250.981260	148.5
[M+HCOO]-	312.982201	163.1
[M+CH3COO]-	326.997851	199.2
[M+Na-2H]-	288.958666	154.2
[M]+	267.98345142	157.5
[M]-	267.98454858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe