CID 501032

Chembl150149

Structural Information

Molecular Formula
C14H9ClF2N2OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=NC=C(C=C3)Cl
InChI
InChI=1S/C14H9ClF2N2OS/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
FSOIAWWUVHZTNG-UHFFFAOYSA-N
Compound name
3-(5-chloropyridin-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

326.00922 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.01650 167.5
[M+Na]+ 348.99844 179.5
[M-H]- 325.00194 173.1
[M+NH4]+ 344.04304 182.6
[M+K]+ 364.97238 172.0
[M+H-H2O]+ 309.00648 158.1
[M+HCOO]- 371.00742 177.3
[M+CH3COO]- 385.02307 179.0
[M+Na-2H]- 346.98389 165.0
[M]+ 326.00867 168.2
[M]- 326.00977 168.2
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.