CID 513691

682755-37-9

Structural Information

Molecular Formula
C14H11F2N3OS
SMILES
CC1=NC(=NC=C1)N2C(SCC2=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C14H11F2N3OS/c1-8-5-6-17-14(18-8)19-11(20)7-21-13(19)12-9(15)3-2-4-10(12)16/h2-6,13H,7H2,1H3
InChIKey
HBUNUVXVDLOLKN-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

307.05908 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06636 166.0
[M+Na]+ 330.04830 177.5
[M-H]- 306.05180 170.4
[M+NH4]+ 325.09290 179.7
[M+K]+ 346.02224 171.0
[M+H-H2O]+ 290.05634 155.5
[M+HCOO]- 352.05728 179.2
[M+CH3COO]- 366.07293 177.2
[M+Na-2H]- 328.03375 163.8
[M]+ 307.05853 165.2
[M]- 307.05963 165.2
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.