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]+ 227.955046 143.3
[M+Na]+ 249.936988 154.7
[M-H]- 225.940494 146.8
[M+NH4]+ 244.981593 163.7
[M+K]+ 265.910928 150.7
[M+H-H2O]+ 209.945030 139.2
[M+HCOO]- 271.945971 152.6
[M+CH3COO]- 285.961621 180.5
[M+Na-2H]- 247.922436 144.9
[M]+ 226.94722142 150.2
[M]- 226.94831858 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.