CID 503747

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

Structural Information

Molecular Formula
C16H13ClFNOS
SMILES
CC1=CC(=CC=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C16H13ClFNOS/c1-10-4-2-5-11(8-10)19-14(20)9-21-16(19)15-12(17)6-3-7-13(15)18/h2-8,16H,9H2,1H3
InChIKey
DNWNVHSTBYFLKI-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.03903 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.04631 170.3
[M+Na]+ 344.02825 181.4
[M-H]- 320.03175 178.4
[M+NH4]+ 339.07285 187.1
[M+K]+ 360.00219 174.1
[M+H-H2O]+ 304.03629 162.5
[M+HCOO]- 366.03723 181.8
[M+CH3COO]- 380.05288 182.2
[M+Na-2H]- 342.01370 167.5
[M]+ 321.03848 172.3
[M]- 321.03958 172.3
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.