CID 16051882

5-chloro-3-(4,4,4-trifluorobutylsulfonyl)-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C13H12ClF3N2O3S
SMILES
C1=CC2=C(C=C1Cl)C(=C(N2)C(=O)N)S(=O)(=O)CCCC(F)(F)F
InChI
InChI=1S/C13H12ClF3N2O3S/c14-7-2-3-9-8(6-7)11(10(19-9)12(18)20)23(21,22)5-1-4-13(15,16)17/h2-3,6,19H,1,4-5H2,(H2,18,20)
InChIKey
SJZSWDWWMVBKQZ-UHFFFAOYSA-N
Compound name
5-chloro-3-(4,4,4-trifluorobutylsulfonyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

368.02094 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02822 175.4
[M+Na]+ 391.01016 186.4
[M-H]- 367.01366 174.1
[M+NH4]+ 386.05476 190.0
[M+K]+ 406.98410 179.2
[M+H-H2O]+ 351.01820 168.4
[M+HCOO]- 413.01914 182.4
[M+CH3COO]- 427.03479 208.7
[M+Na-2H]- 388.99561 176.6
[M]+ 368.02039 177.4
[M]- 368.02149 177.4
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