CID 16050446

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

Structural Information

Molecular Formula
C12H9ClF4N2O3S
SMILES
C1=CC2=C(C=C1Cl)C(=C(N2)C(=O)N)S(=O)(=O)CC(C(F)F)(F)F
InChI
InChI=1S/C12H9ClF4N2O3S/c13-5-1-2-7-6(3-5)9(8(19-7)10(18)20)23(21,22)4-12(16,17)11(14)15/h1-3,11,19H,4H2,(H2,18,20)
InChIKey
ZBUJMUKKSOIWBO-UHFFFAOYSA-N
Compound name
5-chloro-3-(2,2,3,3-tetrafluoropropylsulfonyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

371.99585 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.00313 171.3
[M+Na]+ 394.98507 182.2
[M-H]- 370.98857 168.8
[M+NH4]+ 390.02967 185.4
[M+K]+ 410.95901 175.5
[M+H-H2O]+ 354.99311 163.7
[M+HCOO]- 416.99405 176.6
[M+CH3COO]- 431.00970 210.0
[M+Na-2H]- 392.97052 171.7
[M]+ 371.99530 171.4
[M]- 371.99640 171.4
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