CID 168898812

Methyl 4-(chlorosulfonyl)thiazole-2-carboxylate

Structural Information

Molecular Formula
C5H4ClNO4S2
SMILES
COC(=O)C1=NC(=CS1)S(=O)(=O)Cl
InChI
InChI=1S/C5H4ClNO4S2/c1-11-5(8)4-7-3(2-12-4)13(6,9)10/h2H,1H3
InChIKey
BMYYAWCLTXOKCI-UHFFFAOYSA-N
Compound name
methyl 4-chlorosulfonyl-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.92703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.93431 145.7
[M+Na]+ 263.91625 156.8
[M-H]- 239.91975 149.3
[M+NH4]+ 258.96085 165.3
[M+K]+ 279.89019 153.2
[M+H-H2O]+ 223.92429 141.8
[M+HCOO]- 285.92523 154.5
[M+CH3COO]- 299.94088 181.8
[M+Na-2H]- 261.90170 146.8
[M]+ 240.92648 152.7
[M]- 240.92758 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