CID 16226782

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

Structural Information

Molecular Formula
C7H4BrClN2O3S
SMILES
C1=C2C(=CC(=C1S(=O)(=O)Cl)Br)NC(=O)N2
InChI
InChI=1S/C7H4BrClN2O3S/c8-3-1-4-5(11-7(12)10-4)2-6(3)15(9,13)14/h1-2H,(H2,10,11,12)
InChIKey
KPTXLRVMERGOKN-UHFFFAOYSA-N
Compound name
6-bromo-2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.88144 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.88872 144.2
[M+Na]+ 332.87066 161.7
[M-H]- 308.87416 148.5
[M+NH4]+ 327.91526 164.1
[M+K]+ 348.84460 147.0
[M+H-H2O]+ 292.87870 146.6
[M+HCOO]- 354.87964 154.3
[M+CH3COO]- 368.89529 188.3
[M+Na-2H]- 330.85611 151.4
[M]+ 309.88089 167.2
[M]- 309.88199 167.2
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.