CID 6478097

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

Structural Information

Molecular Formula
C16H9F3N2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3F)F)F)/SC2=S
InChI
InChI=1S/C16H9F3N2O3S3/c17-11-8-13(19)12(18)6-9(11)7-14-15(22)21(16(25)26-14)20-27(23,24)10-4-2-1-3-5-10/h1-8,20H/b14-7+
InChIKey
KOTPTSBSLSFZHB-VGOFMYFVSA-N
Compound name
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

429.97275 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.98003 191.5
[M+Na]+ 452.96197 201.9
[M-H]- 428.96547 195.2
[M+NH4]+ 448.00657 202.1
[M+K]+ 468.93591 191.3
[M+H-H2O]+ 412.97001 182.5
[M+HCOO]- 474.97095 194.8
[M+CH3COO]- 488.98660 221.6
[M+Na-2H]- 450.94742 188.4
[M]+ 429.97220 189.1
[M]- 429.97330 189.1
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.