CID 986650

88522-33-2

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂NO₄S

SMILES

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C15H13Cl2NO4S/c1-2-22-15(19)10-3-6-12(7-4-10)18-23(20,21)14-9-11(16)5-8-13(14)17/h3-9,18H,2H2,1H3

InChIKey

BPUQEOSUUJGRHA-UHFFFAOYSA-N

Compound name

ethyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 372.99423 Da
Monoisotopic Mass: 3.9
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]+	374.001506	177.5
[M+Na]+	395.983448	186.9
[M-H]-	371.986954	184.6
[M+NH4]+	391.028053	191.4
[M+K]+	411.957388	180.7
[M+H-H2O]+	355.991490	172.1
[M+HCOO]-	417.992431	186.8
[M+CH3COO]-	432.008081	211.5
[M+Na-2H]-	393.968896	179.7
[M]+	372.99368142	185.4
[M]-	372.99477858	185.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.