CID 63840460

6-bromo-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-sulfonamide

Structural Information

Molecular Formula
C7H6BrN3O3S
SMILES
C1=C2C(=CC(=C1S(=O)(=O)N)Br)NC(=O)N2
InChI
InChI=1S/C7H6BrN3O3S/c8-3-1-4-5(11-7(12)10-4)2-6(3)15(9,13)14/h1-2H,(H2,9,13,14)(H2,10,11,12)
InChIKey
ZNTJCNGZULKOOY-UHFFFAOYSA-N
Compound name
6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.9313 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.93858 143.1
[M+Na]+ 313.92052 158.6
[M-H]- 289.92402 146.5
[M+NH4]+ 308.96512 161.9
[M+K]+ 329.89446 144.6
[M+H-H2O]+ 273.92856 143.8
[M+HCOO]- 335.92950 157.7
[M+CH3COO]- 349.94515 189.0
[M+Na-2H]- 311.90597 150.1
[M]+ 290.93075 162.6
[M]- 290.93185 162.6
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.