CID 137838456

3-methoxy-1,2-thiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C4H4ClNO3S2
SMILES
COC1=NSC=C1S(=O)(=O)Cl
InChI
InChI=1S/C4H4ClNO3S2/c1-9-4-3(2-10-6-4)11(5,7)8/h2H,1H3
InChIKey
ILYHIVBLBVYSTE-UHFFFAOYSA-N
Compound name
3-methoxy-1,2-thiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.93211 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.93939 139.0
[M+Na]+ 235.92133 150.8
[M-H]- 211.92483 142.7
[M+NH4]+ 230.96593 160.0
[M+K]+ 251.89527 147.1
[M+H-H2O]+ 195.92937 135.1
[M+HCOO]- 257.93031 148.6
[M+CH3COO]- 271.94596 177.6
[M+Na-2H]- 233.90678 141.0
[M]+ 212.93156 145.6
[M]- 212.93266 145.6
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.