CID 6478132

3,5-dichloro-n-[(5e)-5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzenesulfonamide

Structural Information

Molecular Formula
C16H8Cl4N2O3S3
SMILES
C1=CC(=C(C=C1/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC(=CC(=C3)Cl)Cl)Cl)Cl
InChI
InChI=1S/C16H8Cl4N2O3S3/c17-9-5-10(18)7-11(6-9)28(24,25)21-22-15(23)14(27-16(22)26)4-8-1-2-12(19)13(20)3-8/h1-7,21H/b14-4+
InChIKey
PZWFRJUJWORDFU-LNKIKWGQSA-N
Compound name
3,5-dichloro-N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.84512 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.85240 209.5
[M+Na]+ 534.83434 219.0
[M-H]- 510.83784 215.6
[M+NH4]+ 529.87894 218.8
[M+K]+ 550.80828 210.2
[M+H-H2O]+ 494.84238 206.8
[M+HCOO]- 556.84332 197.3
[M+CH3COO]- 570.85897 215.6
[M+Na-2H]- 532.81979 204.5
[M]+ 511.84457 211.9
[M]- 511.84567 211.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.