CID 16728006

924648-13-5

Structural Information

Molecular Formula
C14H12F2N2OS2
SMILES
CC1=C(SC(=N1)N2C(SCC2=O)C3=C(C=CC=C3F)F)C
InChI
InChI=1S/C14H12F2N2OS2/c1-7-8(2)21-14(17-7)18-11(19)6-20-13(18)12-9(15)4-3-5-10(12)16/h3-5,13H,6H2,1-2H3
InChIKey
AXFXOBANCCBRDV-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

326.03592 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04320 167.7
[M+Na]+ 349.02514 180.5
[M-H]- 325.02864 174.1
[M+NH4]+ 344.06974 184.9
[M+K]+ 364.99908 174.2
[M+H-H2O]+ 309.03318 160.4
[M+HCOO]- 371.03412 178.1
[M+CH3COO]- 385.04977 179.7
[M+Na-2H]- 347.01059 160.9
[M]+ 326.03537 169.5
[M]- 326.03647 169.5
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.