CID 116115

63991-43-5

Structural Information

Molecular Formula

C₇H₆Cl₃NO₂S

SMILES

CNS(=O)(=O)C1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C7H6Cl3NO2S/c1-11-14(12,13)7-3-5(9)4(8)2-6(7)10/h2-3,11H,1H3

InChIKey

IIWQFZAPAQEVFI-UHFFFAOYSA-N

Compound name

2,4,5-trichloro-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 272.9185 Da
Monoisotopic Mass: 2.8
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]+	273.92578	149.3
[M+Na]+	295.90772	160.5
[M-H]-	271.91122	152.8
[M+NH4]+	290.95232	167.6
[M+K]+	311.88166	154.5
[M+H-H2O]+	255.91576	147.1
[M+HCOO]-	317.91670	154.3
[M+CH3COO]-	331.93235	194.0
[M+Na-2H]-	293.89317	152.0
[M]+	272.91795	154.4
[M]-	272.91905	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe