CID 501031

Chembl149913

Structural Information

Molecular Formula
C14H9Cl2FN2OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=NC=C(C=C3)Cl
InChI
InChI=1S/C14H9Cl2FN2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2
InChIKey
XEWFCBYOUIAVOR-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(5-chloropyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

341.97968 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.98696 171.3
[M+Na]+ 364.96890 183.4
[M-H]- 340.97240 177.5
[M+NH4]+ 360.01350 186.3
[M+K]+ 380.94284 175.6
[M+H-H2O]+ 324.97694 163.2
[M+HCOO]- 386.97788 177.0
[M+CH3COO]- 400.99353 182.5
[M+Na-2H]- 362.95435 168.6
[M]+ 341.97913 174.1
[M]- 341.98023 174.1
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.