CID 503743

3-(3-chlorophenyl)-2-(2,6-dichlorophenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C15H10Cl3NOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H10Cl3NOS/c16-9-3-1-4-10(7-9)19-13(20)8-21-15(19)14-11(17)5-2-6-12(14)18/h1-7,15H,8H2
InChIKey
XBVBTHRAHUILRF-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.95486 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.96214 177.2
[M+Na]+ 379.94408 188.4
[M-H]- 355.94758 184.6
[M+NH4]+ 374.98868 192.8
[M+K]+ 395.91802 180.7
[M+H-H2O]+ 339.95212 171.3
[M+HCOO]- 401.95306 179.4
[M+CH3COO]- 415.96871 187.8
[M+Na-2H]- 377.92953 173.6
[M]+ 356.95431 180.8
[M]- 356.95541 180.8
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.