CID 16051881

5-chloro-3-(3,3,3-trifluoropropylsulfonyl)-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C12H10ClF3N2O3S
SMILES
C1=CC2=C(C=C1Cl)C(=C(N2)C(=O)N)S(=O)(=O)CCC(F)(F)F
InChI
InChI=1S/C12H10ClF3N2O3S/c13-6-1-2-8-7(5-6)10(9(18-8)11(17)19)22(20,21)4-3-12(14,15)16/h1-2,5,18H,3-4H2,(H2,17,19)
InChIKey
JDGJTMVPMPUSTG-UHFFFAOYSA-N
Compound name
5-chloro-3-(3,3,3-trifluoropropylsulfonyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

354.00528 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.01256 170.9
[M+Na]+ 376.99450 182.3
[M-H]- 352.99800 169.7
[M+NH4]+ 372.03910 186.0
[M+K]+ 392.96844 175.4
[M+H-H2O]+ 337.00254 164.1
[M+HCOO]- 399.00348 178.3
[M+CH3COO]- 413.01913 205.8
[M+Na-2H]- 374.97995 172.6
[M]+ 354.00473 172.6
[M]- 354.00583 172.6
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