CID 501038

Chembl151152

Structural Information

Molecular Formula
C15H12ClFN2OS
SMILES
CC1=CC(=NC=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C15H12ClFN2OS/c1-9-5-6-18-12(7-9)19-13(20)8-21-15(19)14-10(16)3-2-4-11(14)17/h2-7,15H,8H2,1H3
InChIKey
OPQPKXNKKGTKBZ-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(4-methylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

322.0343 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04158 169.9
[M+Na]+ 345.02352 181.4
[M-H]- 321.02702 176.7
[M+NH4]+ 340.06812 185.3
[M+K]+ 360.99746 174.2
[M+H-H2O]+ 305.03156 161.3
[M+HCOO]- 367.03250 180.4
[M+CH3COO]- 381.04815 181.5
[M+Na-2H]- 343.00897 167.4
[M]+ 322.03375 171.9
[M]- 322.03485 171.9
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.