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

0
Patents

334.01788 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.