CID 3051967

Gs 430

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₃S

SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N(C)C)Cl

InChI

InChI=1S/C10H13ClN2O3S/c1-7(14)12-10-5-4-8(6-9(10)11)17(15,16)13(2)3/h4-6H,1-3H3,(H,12,14)

InChIKey

UNKYRWICCVJZKG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 276.03354 Da
Monoisotopic Mass: 0.7
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	156.7
[M+Na]+	299.022758	165.1
[M-H]-	275.026264	162.4
[M+NH4]+	294.067363	174.4
[M+K]+	314.996698	161.9
[M+H-H2O]+	259.030800	151.3
[M+HCOO]-	321.031741	172.0
[M+CH3COO]-	335.047391	201.6
[M+Na-2H]-	297.008206	159.4
[M]+	276.03299142	162.5
[M]-	276.03408858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe