CID 513694

2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C15H10ClF4N3OS
SMILES
CC1=NC(=NC=C1)N2C(SCC2=O)C3=C(C=CC(=C3F)Cl)C(F)(F)F
InChI
InChI=1S/C15H10ClF4N3OS/c1-7-4-5-21-14(22-7)23-10(24)6-25-13(23)11-8(15(18,19)20)2-3-9(16)12(11)17/h2-5,13H,6H2,1H3
InChIKey
UXCUMGWPWFUNKP-UHFFFAOYSA-N
Compound name
2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.01694 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.02422 182.3
[M+Na]+ 414.00616 194.9
[M-H]- 390.00966 184.2
[M+NH4]+ 409.05076 193.6
[M+K]+ 429.98010 186.7
[M+H-H2O]+ 374.01420 170.7
[M+HCOO]- 436.01514 186.7
[M+CH3COO]- 450.03079 215.4
[M+Na-2H]- 411.99161 178.4
[M]+ 391.01639 181.5
[M]- 391.01749 181.5
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.