CID 6478106

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

Structural Information

Molecular Formula
C16H10F2N2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=C(C=C(C=C3)F)F)/SC2=S
InChI
InChI=1S/C16H10F2N2O3S3/c17-11-7-6-10(13(18)9-11)8-14-15(21)20(16(24)25-14)19-26(22,23)12-4-2-1-3-5-12/h1-9,19H/b14-8+
InChIKey
XETOEHXZMNCIGL-RIYZIHGNSA-N
Compound name
N-[(5E)-5-[(2,4-difluorophenyl)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

411.98215 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.98943 190.1
[M+Na]+ 434.97137 200.0
[M-H]- 410.97487 195.0
[M+NH4]+ 430.01597 201.3
[M+K]+ 450.94531 189.7
[M+H-H2O]+ 394.97941 181.9
[M+HCOO]- 456.98035 194.6
[M+CH3COO]- 470.99600 217.9
[M+Na-2H]- 432.95682 188.0
[M]+ 411.98160 188.3
[M]- 411.98270 188.3
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.