CID 506888

540740-50-9

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C15H11ClN2O3S/c16-10-6-7-12-13(15(17)19)9-18(14(12)8-10)22(20,21)11-4-2-1-3-5-11/h1-9H,(H2,17,19)

InChIKey

WRDKXWKJPJIVLZ-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)-6-chloroindole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 334.01788 Da
Monoisotopic Mass: 2.7
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]+	335.02516	173.7
[M+Na]+	357.00710	185.6
[M-H]-	333.01060	181.2
[M+NH4]+	352.05170	190.1
[M+K]+	372.98104	179.1
[M+H-H2O]+	317.01514	167.8
[M+HCOO]-	379.01608	187.8
[M+CH3COO]-	393.03173	205.2
[M+Na-2H]-	354.99255	177.0
[M]+	334.01733	179.9
[M]-	334.01843	179.9

Literature stripe

literature stripe

Patent stripe

patents stripe