CID 503745

3-(3-chlorophenyl)-2-(2,6-difluorophenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C15H10ClF2NOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H10ClF2NOS/c16-9-3-1-4-10(7-9)19-13(20)8-21-15(19)14-11(17)5-2-6-12(14)18/h1-7,15H,8H2
InChIKey
DDDJANYXGCVWJJ-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.01398 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.02126 168.0
[M+Na]+ 348.00320 179.6
[M-H]- 324.00670 174.8
[M+NH4]+ 343.04780 184.5
[M+K]+ 363.97714 172.0
[M+H-H2O]+ 308.01124 159.4
[M+HCOO]- 370.01218 178.8
[M+CH3COO]- 384.02783 179.8
[M+Na-2H]- 345.98865 165.1
[M]+ 325.01343 168.7
[M]- 325.01453 168.7
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.