CID 125449009

2-(5-methyl-2-oxo-2,3-dihydro-1,3,4-oxadiazol-3-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H7ClN2O4S
SMILES
CC1=NN(C(=O)O1)CCS(=O)(=O)Cl
InChI
InChI=1S/C5H7ClN2O4S/c1-4-7-8(5(9)12-4)2-3-13(6,10)11/h2-3H2,1H3
InChIKey
AWAIPQIRWKLEBI-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.9815 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.988776 140.8
[M+Na]+ 248.970718 153.3
[M-H]- 224.974224 144.0
[M+NH4]+ 244.015323 158.7
[M+K]+ 264.944658 151.3
[M+H-H2O]+ 208.978760 136.0
[M+HCOO]- 270.979701 154.0
[M+CH3COO]- 284.995351 180.8
[M+Na-2H]- 246.956166 144.9
[M]+ 225.98095142 149.0
[M]- 225.98204858 149.0
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.