CID 503755

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

Structural Information

Molecular Formula
C15H10Cl2N2O3S
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10Cl2N2O3S/c16-11-5-2-6-12(17)14(11)15-18(13(20)8-23-15)9-3-1-4-10(7-9)19(21)22/h1-7,15H,8H2
InChIKey
ZKOOXVJFABLVMH-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.9789 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.98618 182.6
[M+Na]+ 390.96812 190.8
[M-H]- 366.97162 190.7
[M+NH4]+ 386.01272 196.1
[M+K]+ 406.94206 180.2
[M+H-H2O]+ 350.97616 180.4
[M+HCOO]- 412.97710 190.9
[M+CH3COO]- 426.99275 204.2
[M+Na-2H]- 388.95357 181.8
[M]+ 367.97835 184.2
[M]- 367.97945 184.2
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.