CID 503740

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

Structural Information

Molecular Formula
C15H10BrCl2NOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=CC(=CC=C3)Br
InChI
InChI=1S/C15H10BrCl2NOS/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
SEYSOKWGOQQFLI-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.90436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.91164 172.2
[M+Na]+ 423.89358 187.4
[M-H]- 399.89708 183.6
[M+NH4]+ 418.93818 190.5
[M+K]+ 439.86752 172.4
[M+H-H2O]+ 383.90162 173.1
[M+HCOO]- 445.90256 178.7
[M+CH3COO]- 459.91821 186.1
[M+Na-2H]- 421.87903 172.2
[M]+ 400.90381 194.3
[M]- 400.90491 194.3
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.