CID 506851

540740-76-9

Structural Information

Molecular Formula
C15H10ClFN2OS
SMILES
C1=CC(=CC=C1F)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C15H10ClFN2OS/c16-8-1-6-12-11(7-8)14(13(19-12)15(18)20)21-10-4-2-9(17)3-5-10/h1-7,19H,(H2,18,20)
InChIKey
URVQMKDOBSCMQF-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-fluorophenyl)sulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

320.01865 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02593 167.2
[M+Na]+ 343.00787 179.3
[M-H]- 319.01137 171.9
[M+NH4]+ 338.05247 184.0
[M+K]+ 358.98181 170.9
[M+H-H2O]+ 303.01591 160.6
[M+HCOO]- 365.01685 179.7
[M+CH3COO]- 379.03250 179.0
[M+Na-2H]- 340.99332 167.8
[M]+ 320.01810 170.3
[M]- 320.01920 170.3
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.