CID 506856

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

Structural Information

Molecular Formula
C15H9Cl3N2OS
SMILES
C1=CC(=C(C(=C1)Cl)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)Cl
InChI
InChI=1S/C15H9Cl3N2OS/c16-7-4-5-11-8(6-7)13(12(20-11)15(19)21)22-14-9(17)2-1-3-10(14)18/h1-6,20H,(H2,19,21)
InChIKey
DBEDNRWVUCRTQT-UHFFFAOYSA-N
Compound name
5-chloro-3-(2,6-dichlorophenyl)sulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

369.9501 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.95738 177.2
[M+Na]+ 392.93932 189.7
[M-H]- 368.94282 181.6
[M+NH4]+ 387.98392 192.6
[M+K]+ 408.91326 180.8
[M+H-H2O]+ 352.94736 173.0
[M+HCOO]- 414.94830 180.1
[M+CH3COO]- 428.96395 187.7
[M+Na-2H]- 390.92477 175.9
[M]+ 369.94955 182.8
[M]- 369.95065 182.8
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.