CID 503753

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

Structural Information

Molecular Formula
C16H13ClFNO2S
SMILES
COC1=CC=CC(=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C16H13ClFNO2S/c1-21-11-5-2-4-10(8-11)19-14(20)9-22-16(19)15-12(17)6-3-7-13(15)18/h2-8,16H,9H2,1H3
InChIKey
QRATWEPNOJCBTR-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(3-methoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.03397 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.04125 173.5
[M+Na]+ 360.02319 184.4
[M-H]- 336.02669 181.6
[M+NH4]+ 355.06779 189.6
[M+K]+ 375.99713 177.7
[M+H-H2O]+ 320.03123 165.6
[M+HCOO]- 382.03217 185.3
[M+CH3COO]- 396.04782 185.3
[M+Na-2H]- 358.00864 170.9
[M]+ 337.03342 176.9
[M]- 337.03452 176.9
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.