CID 155819806

2-chloro-4-(1,3-dioxolan-2-yl)-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C6H5Cl2NO4S2
SMILES
C1COC(O1)C2=C(SC(=N2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H5Cl2NO4S2/c7-6-9-3(4-12-1-2-13-4)5(14-6)15(8,10)11/h4H,1-2H2
InChIKey
DOXYQTDNBOQCFP-UHFFFAOYSA-N
Compound name
2-chloro-4-(1,3-dioxolan-2-yl)-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.90372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.91100 158.6
[M+Na]+ 311.89294 170.2
[M-H]- 287.89644 166.5
[M+NH4]+ 306.93754 176.3
[M+K]+ 327.86688 168.2
[M+H-H2O]+ 271.90098 156.5
[M+HCOO]- 333.90192 161.4
[M+CH3COO]- 347.91757 188.2
[M+Na-2H]- 309.87839 158.4
[M]+ 288.90317 165.2
[M]- 288.90427 165.2
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.