CID 6482982

2-(3,5-dichlorophenyl)-3-(2-furylmethyl)thiazolidin-4-one

Structural Information

Molecular Formula
C14H11Cl2NO2S
SMILES
C1C(=O)N(C(S1)C2=CC(=CC(=C2)Cl)Cl)CC3=CC=CO3
InChI
InChI=1S/C14H11Cl2NO2S/c15-10-4-9(5-11(16)6-10)14-17(13(18)8-20-14)7-12-2-1-3-19-12/h1-6,14H,7-8H2
InChIKey
AFFSZHKMDIJKPG-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.98877 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.99605 174.3
[M+Na]+ 349.97799 185.6
[M-H]- 325.98149 184.0
[M+NH4]+ 345.02259 191.6
[M+K]+ 365.95193 180.3
[M+H-H2O]+ 309.98603 169.0
[M+HCOO]- 371.98697 182.6
[M+CH3COO]- 386.00262 186.5
[M+Na-2H]- 347.96344 170.7
[M]+ 326.98822 179.9
[M]- 326.98932 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.