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]+ 227.955046 142.9
[M+Na]+ 249.936988 154.7
[M-H]- 225.940494 145.2
[M+NH4]+ 244.981593 162.7
[M+K]+ 265.910928 149.1
[M+H-H2O]+ 209.945030 139.4
[M+HCOO]- 271.945971 150.8
[M+CH3COO]- 285.961621 178.3
[M+Na-2H]- 247.922436 143.5
[M]+ 226.94722142 147.6
[M]- 226.94831858 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.