CID 3088085

116943-69-2

Structural Information

Molecular Formula
C5H9ClN2O4S
SMILES
C1COC(=O)N1S(=O)(=O)NCCCl
InChI
InChI=1S/C5H9ClN2O4S/c6-1-2-7-13(10,11)8-3-4-12-5(8)9/h7H,1-4H2
InChIKey
ZAOWXYMVKPPJTB-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.99716 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00444 144.4
[M+Na]+ 250.98638 153.0
[M-H]- 226.98988 147.6
[M+NH4]+ 246.03098 162.6
[M+K]+ 266.96032 151.2
[M+H-H2O]+ 210.99442 139.8
[M+HCOO]- 272.99536 157.0
[M+CH3COO]- 287.01101 182.5
[M+Na-2H]- 248.97183 148.2
[M]+ 227.99661 148.3
[M]- 227.99771 148.3
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.