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]+ 211.96013 140.1
[M+Na]+ 233.94207 151.8
[M-H]- 209.94557 143.6
[M+NH4]+ 228.98667 161.3
[M+K]+ 249.91601 147.3
[M+H-H2O]+ 193.95011 136.1
[M+HCOO]- 255.95105 149.2
[M+CH3COO]- 269.96670 178.5
[M+Na-2H]- 231.92752 141.4
[M]+ 210.95230 145.7
[M]- 210.95340 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.