CID 16728002

924648-08-8

Structural Information

Molecular Formula
C13H10ClFN2OS2
SMILES
CC1=CSC(=N1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C13H10ClFN2OS2/c1-7-5-20-13(16-7)17-10(18)6-19-12(17)11-8(14)3-2-4-9(11)15/h2-5,12H,6H2,1H3
InChIKey
RZPWYWJBRURJDS-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.99072 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.99800 169.4
[M+Na]+ 350.97994 182.3
[M-H]- 326.98344 177.0
[M+NH4]+ 346.02454 187.1
[M+K]+ 366.95388 175.5
[M+H-H2O]+ 310.98798 163.2
[M+HCOO]- 372.98892 176.5
[M+CH3COO]- 387.00457 181.5
[M+Na-2H]- 348.96539 163.5
[M]+ 327.99017 173.0
[M]- 327.99127 173.0
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.