CID 339227

Nsc364736

Structural Information

Molecular Formula
C13H9ClFN3OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=NC=CC=N3
InChI
InChI=1S/C13H9ClFN3OS/c14-8-3-1-4-9(15)11(8)12-18(10(19)7-20-12)13-16-5-2-6-17-13/h1-6,12H,7H2
InChIKey
CSEPHHLAQRMVQS-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.0139 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02118 164.9
[M+Na]+ 332.00312 176.5
[M-H]- 308.00662 170.3
[M+NH4]+ 327.04772 179.1
[M+K]+ 347.97706 169.5
[M+H-H2O]+ 292.01116 155.5
[M+HCOO]- 354.01210 174.8
[M+CH3COO]- 368.02775 176.3
[M+Na-2H]- 329.98857 163.9
[M]+ 309.01335 166.2
[M]- 309.01445 166.2
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.