CID 135187074

6-chloro-n-(4-cyano-2-fluorophenyl)-1h-indole-3-sulfonamide

Structural Information

Molecular Formula
C15H9ClFN3O2S
SMILES
C1=CC(=C(C=C1C#N)F)NS(=O)(=O)C2=CNC3=C2C=CC(=C3)Cl
InChI
InChI=1S/C15H9ClFN3O2S/c16-10-2-3-11-14(6-10)19-8-15(11)23(21,22)20-13-4-1-9(7-18)5-12(13)17/h1-6,8,19-20H
InChIKey
WTVQVSRDWJPLPV-UHFFFAOYSA-N
Compound name
6-chloro-N-(4-cyano-2-fluorophenyl)-1H-indole-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

349.0088 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.01608 188.1
[M+Na]+ 371.99802 202.5
[M-H]- 348.00152 192.0
[M+NH4]+ 367.04262 201.9
[M+K]+ 387.97196 193.1
[M+H-H2O]+ 332.00606 174.7
[M+HCOO]- 394.00700 197.5
[M+CH3COO]- 408.02265 197.4
[M+Na-2H]- 369.98347 189.9
[M]+ 349.00825 186.6
[M]- 349.00935 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe