CID 6432522

5233-42-1

Structural Information

Molecular Formula
C7H7Cl2N3O4S2
SMILES
C1NC2=C(C(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)Cl
InChI
InChI=1S/C7H7Cl2N3O4S2/c8-5-3(17(10,13)14)1-4-7(6(5)9)11-2-12-18(4,15)16/h1,11-12H,2H2,(H2,10,13,14)
InChIKey
BSNKBIJVLZUERH-UHFFFAOYSA-N
Compound name
5,6-dichloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.9255 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.93278 156.8
[M+Na]+ 353.91472 167.4
[M-H]- 329.91822 155.5
[M+NH4]+ 348.95932 171.2
[M+K]+ 369.88866 159.9
[M+H-H2O]+ 313.92276 154.9
[M+HCOO]- 375.92370 153.7
[M+CH3COO]- 389.93935 195.6
[M+Na-2H]- 351.90017 161.5
[M]+ 330.92495 157.8
[M]- 330.92605 157.8
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

No patent data available for this compound.