CID 3132814

7-bromo-2,1,3-benzothiadiazole-4-sulfonamide

Structural Information

Molecular Formula
C6H4BrN3O2S2
SMILES
C1=C(C2=NSN=C2C(=C1)Br)S(=O)(=O)N
InChI
InChI=1S/C6H4BrN3O2S2/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H,(H2,8,11,12)
InChIKey
NYPNWAYAZYXQCE-UHFFFAOYSA-N
Compound name
4-bromo-2,1,3-benzothiadiazole-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

292.89282 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.90010 135.0
[M+Na]+ 315.88204 151.8
[M-H]- 291.88554 140.8
[M+NH4]+ 310.92664 155.5
[M+K]+ 331.85598 138.5
[M+H-H2O]+ 275.89008 136.3
[M+HCOO]- 337.89102 147.7
[M+CH3COO]- 351.90667 150.9
[M+Na-2H]- 313.86749 142.9
[M]+ 292.89227 157.5
[M]- 292.89337 157.5
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

No patent data available for this compound.