CID 506868

540740-89-4

Structural Information

Molecular Formula
C15H10ClFN2O3S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C15H10ClFN2O3S/c16-8-1-6-12-11(7-8)14(13(19-12)15(18)20)23(21,22)10-4-2-9(17)3-5-10/h1-7,19H,(H2,18,20)
InChIKey
ULPXRCVFLIOJIM-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-fluorophenyl)sulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

352.00848 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.01576 175.2
[M+Na]+ 374.99770 187.3
[M-H]- 351.00120 180.2
[M+NH4]+ 370.04230 190.3
[M+K]+ 390.97164 179.7
[M+H-H2O]+ 335.00574 168.8
[M+HCOO]- 397.00668 186.7
[M+CH3COO]- 411.02233 206.9
[M+Na-2H]- 372.98315 177.0
[M]+ 352.00793 179.1
[M]- 352.00903 179.1
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.