CID 168898841

Methyl 5-(chlorosulfonyl)thiazole-2-carboxylate

Structural Information

Molecular Formula
C5H4ClNO4S2
SMILES
COC(=O)C1=NC=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C5H4ClNO4S2/c1-11-5(8)4-7-2-3(12-4)13(6,9)10/h2H,1H3
InChIKey
VTLXQMURCJEAKM-UHFFFAOYSA-N
Compound name
methyl 5-chlorosulfonyl-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.92703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.934306 145.7
[M+Na]+ 263.916248 156.8
[M-H]- 239.919754 149.3
[M+NH4]+ 258.960853 165.3
[M+K]+ 279.890188 153.2
[M+H-H2O]+ 223.924290 141.8
[M+HCOO]- 285.925231 154.5
[M+CH3COO]- 299.940881 181.8
[M+Na-2H]- 261.901696 146.8
[M]+ 240.92648142 152.7
[M]- 240.92757858 152.7
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

patents stripe