CID 1382090

2,1,3-benzothiadiazole-4-sulfonamide

Structural Information

Molecular Formula
C6H5N3O2S2
SMILES
C1=CC2=NSN=C2C(=C1)S(=O)(=O)N
InChI
InChI=1S/C6H5N3O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H,(H2,7,10,11)
InChIKey
HFYJNZZVHIQBHE-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

214.98232 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.98960 140.5
[M+Na]+ 237.97154 153.3
[M-H]- 213.97504 143.2
[M+NH4]+ 233.01614 160.0
[M+K]+ 253.94548 148.6
[M+H-H2O]+ 197.97958 135.3
[M+HCOO]- 259.98052 154.6
[M+CH3COO]- 273.99617 154.1
[M+Na-2H]- 235.95699 146.1
[M]+ 214.98177 144.4
[M]- 214.98287 144.4
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