CID 506852

540740-77-0

Structural Information

Molecular Formula
C15H10Cl2N2OS
SMILES
C1=CC(=CC=C1SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)Cl
InChI
InChI=1S/C15H10Cl2N2OS/c16-8-1-4-10(5-2-8)21-14-11-7-9(17)3-6-12(11)19-13(14)15(18)20/h1-7,19H,(H2,18,20)
InChIKey
PUQHYHKIDHUKMB-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-chlorophenyl)sulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

335.98907 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.99635 171.4
[M+Na]+ 358.97829 183.6
[M-H]- 334.98179 176.8
[M+NH4]+ 354.02289 188.0
[M+K]+ 374.95223 174.8
[M+H-H2O]+ 318.98633 166.4
[M+HCOO]- 380.98727 179.8
[M+CH3COO]- 395.00292 182.9
[M+Na-2H]- 356.96374 171.7
[M]+ 335.98852 176.5
[M]- 335.98962 176.5
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.