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 157.0
[M+Na]+ 331.95370 168.8
[M-H]- 307.95720 157.6
[M+NH4]+ 326.99830 172.7
[M+K]+ 347.92764 162.1
[M+H-H2O]+ 291.96174 153.4
[M+HCOO]- 353.96268 161.1
[M+CH3COO]- 367.97833 195.8
[M+Na-2H]- 329.93915 162.8
[M]+ 308.96393 160.6
[M]- 308.96503 160.6
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