CID 503756

2-(2-chloro-6-fluoro-phenyl)-3-(3-nitro-phenyl)-thiazolidin-4-one

Structural Information

Molecular Formula
C15H10ClFN2O3S
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10ClFN2O3S/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
GWOONTROZFGMOY-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.00848 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.01576 176.8
[M+Na]+ 374.99770 185.2
[M-H]- 351.00120 184.5
[M+NH4]+ 370.04230 190.6
[M+K]+ 390.97164 174.7
[M+H-H2O]+ 335.00574 173.1
[M+HCOO]- 397.00668 189.3
[M+CH3COO]- 411.02233 202.5
[M+Na-2H]- 372.98315 176.5
[M]+ 352.00793 176.4
[M]- 352.00903 176.4
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.