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]+ 226.98878 140.8
[M+Na]+ 248.97072 153.3
[M-H]- 224.97422 144.0
[M+NH4]+ 244.01532 158.7
[M+K]+ 264.94466 151.3
[M+H-H2O]+ 208.97876 136.0
[M+HCOO]- 270.97970 154.0
[M+CH3COO]- 284.99535 180.8
[M+Na-2H]- 246.95617 144.9
[M]+ 225.98095 149.0
[M]- 225.98205 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.