CID 15671

Epitizide

Structural Information

Molecular Formula
C10H11ClF3N3O4S3
SMILES
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)CSCC(F)(F)F
InChI
InChI=1S/C10H11ClF3N3O4S3/c11-5-1-6-8(2-7(5)23(15,18)19)24(20,21)17-9(16-6)3-22-4-10(12,13)14/h1-2,9,16-17H,3-4H2,(H2,15,18,19)
InChIKey
RINBGYCKMGDWPY-UHFFFAOYSA-N
Compound name
6-chloro-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2759
Patents

424.95523 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.96251 180.0
[M+Na]+ 447.94445 184.1
[M+NH4]+ 442.98905 183.3
[M+K]+ 463.91839 176.2
[M-H]- 423.94795 173.5
[M+Na-2H]- 445.92990 180.1
[M]+ 424.95468 179.6
[M]- 424.95578 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe