CID 70562

1025-75-8

Structural Information

Molecular Formula
C8H8ClN3O4S2
SMILES
CC1=NS(=O)(=O)C2=CC(=C(C=C2N1)Cl)S(=O)(=O)N
InChI
InChI=1S/C8H8ClN3O4S2/c1-4-11-6-2-5(9)7(17(10,13)14)3-8(6)18(15,16)12-4/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChIKey
UYVDLZFIIVODJV-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.96448 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.97176 162.7
[M+Na]+ 331.95370 173.8
[M+NH4]+ 326.99830 169.9
[M+K]+ 347.92764 164.4
[M-H]- 307.95720 161.7
[M+Na-2H]- 329.93915 167.0
[M]+ 308.96393 165.1
[M]- 308.96503 165.1
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