CID 115873

2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-n-methoxy-, 1,1-dioxide, hemihydrate

Structural Information

Molecular Formula
C8H8ClN3O5S2
SMILES
CONS(=O)(=O)C1=C(C=C2C(=C1)S(=O)(=O)N=CN2)Cl
InChI
InChI=1S/C8H8ClN3O5S2/c1-17-12-19(15,16)7-3-8-6(2-5(7)9)10-4-11-18(8,13)14/h2-4,12H,1H3,(H,10,11)
InChIKey
KKMISJUOBZLBNO-UHFFFAOYSA-N
Compound name
6-chloro-N-methoxy-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.95938 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.96666 159.1
[M+Na]+ 347.94860 169.9
[M-H]- 323.95210 159.9
[M+NH4]+ 342.99320 174.0
[M+K]+ 363.92254 164.0
[M+H-H2O]+ 307.95664 155.0
[M+HCOO]- 369.95758 164.2
[M+CH3COO]- 383.97323 197.3
[M+Na-2H]- 345.93405 167.0
[M]+ 324.95883 164.7
[M]- 324.95993 164.7
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.