CID 16226974

929973-64-8

Structural Information

Molecular Formula

C₁₁H₁₄Cl₂N₂O₃S

SMILES

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

InChI

InChI=1S/C11H14Cl2N2O3S/c1-7(12)11(16)14-8-4-5-9(13)10(6-8)19(17,18)15(2)3/h4-7H,1-3H3,(H,14,16)

InChIKey

MAUYFAOQAKMIGP-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 324.01022 Da
Monoisotopic Mass: 1.9
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]+	325.017496	165.6
[M+Na]+	346.999438	173.5
[M-H]-	323.002944	170.9
[M+NH4]+	342.044043	181.9
[M+K]+	362.973378	169.5
[M+H-H2O]+	307.007480	161.4
[M+HCOO]-	369.008421	174.8
[M+CH3COO]-	383.024071	209.7
[M+Na-2H]-	344.984886	166.4
[M]+	324.00967142	172.4
[M]-	324.01076858	172.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.