CID 6478102

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

Structural Information

Molecular Formula
C16H8ClF3N2O3S3
SMILES
C1=CC(=CC=C1S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3F)F)F)/SC2=S)Cl
InChI
InChI=1S/C16H8ClF3N2O3S3/c17-9-1-3-10(4-2-9)28(24,25)21-22-15(23)14(27-16(22)26)6-8-5-12(19)13(20)7-11(8)18/h1-7,21H/b14-6+
InChIKey
DBWVSOSWEFRIJW-MKMNVTDBSA-N
Compound name
4-chloro-N-[(5E)-4-oxo-2-sulfanylidene-5-[(2,4,5-trifluorophenyl)methylidene]-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.93378 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.94106 196.6
[M+Na]+ 486.92300 208.0
[M-H]- 462.92650 201.0
[M+NH4]+ 481.96760 207.1
[M+K]+ 502.89694 196.6
[M+H-H2O]+ 446.93104 188.8
[M+HCOO]- 508.93198 195.6
[M+CH3COO]- 522.94763 226.2
[M+Na-2H]- 484.90845 192.9
[M]+ 463.93323 196.7
[M]- 463.93433 196.7
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.