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

2
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

patents stripe