CID 3012190

2-(2-chloro-6-fluoro-phenyl)-3-(4-chloro-6-methyl-pyrimidin-2-yl)thiazolidin-4-one

Structural Information

Molecular Formula
C14H10Cl2FN3OS
SMILES
CC1=CC(=NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F)Cl
InChI
InChI=1S/C14H10Cl2FN3OS/c1-7-5-10(16)19-14(18-7)20-11(21)6-22-13(20)12-8(15)3-2-4-9(12)17/h2-5,13H,6H2,1H3
InChIKey
MVQCBINSVXVYBK-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.99057 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.99785 175.2
[M+Na]+ 379.97979 187.9
[M-H]- 355.98329 180.3
[M+NH4]+ 375.02439 188.3
[M+K]+ 395.95373 180.1
[M+H-H2O]+ 339.98783 166.3
[M+HCOO]- 401.98877 179.4
[M+CH3COO]- 416.00442 185.8
[M+Na-2H]- 377.96524 171.6
[M]+ 356.99002 178.5
[M]- 356.99112 178.5
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.