CID 6478136

5-[(3,4-dichlorophenyl)methylene]-3-{[(2-fluorophenyl)sulfonyl]amino}-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H9Cl2FN2O3S3
SMILES
C1=CC=C(C(=C1)F)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/SC2=S
InChI
InChI=1S/C16H9Cl2FN2O3S3/c17-10-6-5-9(7-11(10)18)8-13-15(22)21(16(25)26-13)20-27(23,24)14-4-2-1-3-12(14)19/h1-8,20H/b13-8+
InChIKey
MIWIYUGKPCPUCM-MDWZMJQESA-N
Compound name
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

461.91364 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.92092 199.8
[M+Na]+ 484.90286 210.5
[M-H]- 460.90636 206.5
[M+NH4]+ 479.94746 210.9
[M+K]+ 500.87680 199.8
[M+H-H2O]+ 444.91090 194.6
[M+HCOO]- 506.91184 196.3
[M+CH3COO]- 520.92749 223.6
[M+Na-2H]- 482.88831 196.8
[M]+ 461.91309 202.2
[M]- 461.91419 202.2
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.