CID 55280414

2-ethyl-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C5H6ClNO2S2
SMILES
CCC1=NC=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C5H6ClNO2S2/c1-2-4-7-3-5(10-4)11(6,8)9/h3H,2H2,1H3
InChIKey
YGJJLEKBSKRZRI-UHFFFAOYSA-N
Compound name
2-ethyl-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.95285 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.960126 140.1
[M+Na]+ 233.942068 151.8
[M-H]- 209.945574 143.6
[M+NH4]+ 228.986673 161.3
[M+K]+ 249.916008 147.3
[M+H-H2O]+ 193.950110 136.1
[M+HCOO]- 255.951051 149.2
[M+CH3COO]- 269.966701 178.5
[M+Na-2H]- 231.927516 141.4
[M]+ 210.95230142 145.7
[M]- 210.95339858 145.7
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.