CID 121552361

4-ethyl-2-oxo-2,3-dihydro-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C5H6ClNO3S2
SMILES
CCC1=C(SC(=O)N1)S(=O)(=O)Cl
InChI
InChI=1S/C5H6ClNO3S2/c1-2-3-4(12(6,9)10)11-5(8)7-3/h2H2,1H3,(H,7,8)
InChIKey
YIFANPJICKTIQJ-UHFFFAOYSA-N
Compound name
4-ethyl-2-oxo-3H-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.94777 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.95505 142.9
[M+Na]+ 249.93699 154.7
[M-H]- 225.94049 145.2
[M+NH4]+ 244.98159 162.7
[M+K]+ 265.91093 149.1
[M+H-H2O]+ 209.94503 139.4
[M+HCOO]- 271.94597 150.8
[M+CH3COO]- 285.96162 178.3
[M+Na-2H]- 247.92244 143.5
[M]+ 226.94722 147.6
[M]- 226.94832 147.6
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.