CID 31826

23280-39-9

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₃S

SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCl

InChI

InChI=1S/C10H13ClN2O3S/c1-13(2)17(15,16)9-5-3-8(4-6-9)12-10(14)7-11/h3-6H,7H2,1-2H3,(H,12,14)

InChIKey

FKMWGZIUAHMKRY-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-(dimethylsulfamoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.03354 Da
Monoisotopic Mass: 0.9
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]+	277.040816	157.2
[M+Na]+	299.022758	164.8
[M-H]-	275.026264	162.6
[M+NH4]+	294.067363	174.7
[M+K]+	314.996698	161.6
[M+H-H2O]+	259.030800	151.6
[M+HCOO]-	321.031741	172.6
[M+CH3COO]-	335.047391	200.4
[M+Na-2H]-	297.008206	160.5
[M]+	276.03299142	162.7
[M]-	276.03408858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.