CID 16050538

5-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfonyl]-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C14H11ClF4N2O3S
SMILES
C1C(C(C1(F)F)(F)F)CS(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C14H11ClF4N2O3S/c15-7-1-2-9-8(3-7)11(10(21-9)12(20)22)25(23,24)5-6-4-13(16,17)14(6,18)19/h1-3,6,21H,4-5H2,(H2,20,22)
InChIKey
RMOWIUKVJBLDEV-UHFFFAOYSA-N
Compound name
5-chloro-3-[(2,2,3,3-tetrafluorocyclobutyl)methylsulfonyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

398.0115 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.01878 177.8
[M+Na]+ 421.00072 188.4
[M-H]- 397.00422 178.1
[M+NH4]+ 416.04532 188.3
[M+K]+ 436.97466 183.9
[M+H-H2O]+ 381.00876 165.9
[M+HCOO]- 443.00970 183.1
[M+CH3COO]- 457.02535 216.9
[M+Na-2H]- 418.98617 178.0
[M]+ 398.01095 186.9
[M]- 398.01205 186.9
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