CID 6478089

5-[(4-chloro-3-fluorophenyl)methylene]-3-[(phenylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H10ClFN2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)F)/SC2=S
InChI
InChI=1S/C16H10ClFN2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-9,19H/b14-9+
InChIKey
UNAWJPJOWNPDTG-NTEUORMPSA-N
Compound name
N-[(5E)-5-[(4-chloro-3-fluorophenyl)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

427.9526 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.95988 194.7
[M+Na]+ 450.94182 205.0
[M-H]- 426.94532 201.3
[M+NH4]+ 445.98642 206.4
[M+K]+ 466.91576 194.4
[M+H-H2O]+ 410.94986 188.4
[M+HCOO]- 472.95080 195.9
[M+CH3COO]- 486.96645 218.7
[M+Na-2H]- 448.92727 192.7
[M]+ 427.95205 195.7
[M]- 427.95315 195.7
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.