CID 6478129

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

Structural Information

Molecular Formula
C11H7F3N2O3S3
SMILES
CS(=O)(=O)NN1C(=O)/C(=C\C2=CC(=C(C=C2F)F)F)/SC1=S
InChI
InChI=1S/C11H7F3N2O3S3/c1-22(18,19)15-16-10(17)9(21-11(16)20)3-5-2-7(13)8(14)4-6(5)12/h2-4,15H,1H3/b9-3+
InChIKey
VUVQFRFHINHZFM-YCRREMRBSA-N
Compound name
N-[(5E)-4-oxo-2-sulfanylidene-5-[(2,4,5-trifluorophenyl)methylidene]-1,3-thiazolidin-3-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.9571 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.96438 173.3
[M+Na]+ 390.94632 183.9
[M-H]- 366.94982 174.2
[M+NH4]+ 385.99092 186.5
[M+K]+ 406.92026 174.5
[M+H-H2O]+ 350.95436 165.2
[M+HCOO]- 412.95530 176.1
[M+CH3COO]- 426.97095 211.4
[M+Na-2H]- 388.93177 169.7
[M]+ 367.95655 171.2
[M]- 367.95765 171.2
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.