CID 506874

1h-indole-2-carboxamide, 5-chloro-3-[(2,6-dichlorophenyl)sulfonyl]-

Structural Information

Molecular Formula
C15H9Cl3N2O3S
SMILES
C1=CC(=C(C(=C1)Cl)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)Cl
InChI
InChI=1S/C15H9Cl3N2O3S/c16-7-4-5-11-8(6-7)13(12(20-11)15(19)21)24(22,23)14-9(17)2-1-3-10(14)18/h1-6,20H,(H2,19,21)
InChIKey
JMMANZNYVQEICS-UHFFFAOYSA-N
Compound name
5-chloro-3-(2,6-dichlorophenyl)sulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

401.93994 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.94722 184.6
[M+Na]+ 424.92916 197.3
[M-H]- 400.93266 189.7
[M+NH4]+ 419.97376 198.6
[M+K]+ 440.90310 189.3
[M+H-H2O]+ 384.93720 180.8
[M+HCOO]- 446.93814 186.8
[M+CH3COO]- 460.95379 194.9
[M+Na-2H]- 422.91461 184.7
[M]+ 401.93939 191.2
[M]- 401.94049 191.2
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.