CID 63666046

3-[2-(2-chloroethoxy)ethyl]-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C7H10ClNO3S
SMILES
C1C(=O)N(C(=O)S1)CCOCCCl
InChI
InChI=1S/C7H10ClNO3S/c8-1-3-12-4-2-9-6(10)5-13-7(9)11/h1-5H2
InChIKey
IFVUBFFPOZLCMD-UHFFFAOYSA-N
Compound name
3-[2-(2-chloroethoxy)ethyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.00699 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01427 144.9
[M+Na]+ 245.99621 154.0
[M-H]- 221.99971 147.4
[M+NH4]+ 241.04081 165.3
[M+K]+ 261.97015 150.9
[M+H-H2O]+ 206.00425 140.1
[M+HCOO]- 268.00519 157.8
[M+CH3COO]- 282.02084 183.0
[M+Na-2H]- 243.98166 144.7
[M]+ 223.00644 150.0
[M]- 223.00754 150.0
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.