CID 122163314

(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C5H6ClNO3S2
SMILES
COC1=NSC(=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C5H6ClNO3S2/c1-10-5-2-4(11-7-5)3-12(6,8)9/h2H,3H2,1H3
InChIKey
GFYPKHGYRZBUQP-UHFFFAOYSA-N
Compound name
(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.94777 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.95505 143.3
[M+Na]+ 249.93699 154.7
[M-H]- 225.94049 146.8
[M+NH4]+ 244.98159 163.7
[M+K]+ 265.91093 150.7
[M+H-H2O]+ 209.94503 139.2
[M+HCOO]- 271.94597 152.6
[M+CH3COO]- 285.96162 180.5
[M+Na-2H]- 247.92244 144.9
[M]+ 226.94722 150.2
[M]- 226.94832 150.2
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.