CID 105519372

1261752-89-9

Structural Information

Molecular Formula
C5H3BrClNO3S
SMILES
C1=C(C(=O)NC=C1Br)S(=O)(=O)Cl
InChI
InChI=1S/C5H3BrClNO3S/c6-3-1-4(12(7,10)11)5(9)8-2-3/h1-2H,(H,8,9)
InChIKey
MISITZWHLUXORP-UHFFFAOYSA-N
Compound name
5-bromo-2-oxo-1H-pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.87054 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.87782 130.8
[M+Na]+ 293.85976 146.3
[M-H]- 269.86326 136.0
[M+NH4]+ 288.90436 150.9
[M+K]+ 309.83370 132.5
[M+H-H2O]+ 253.86780 132.7
[M+HCOO]- 315.86874 142.0
[M+CH3COO]- 329.88439 183.8
[M+Na-2H]- 291.84521 138.4
[M]+ 270.86999 152.7
[M]- 270.87109 152.7
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.