CID 6478133

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

Structural Information

Molecular Formula
C16H9Br2FN2O3S3
SMILES
C1=CC(=CC=C1F)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Br)Br)/SC2=S
InChI
InChI=1S/C16H9Br2FN2O3S3/c17-12-6-1-9(7-13(12)18)8-14-15(22)21(16(25)26-14)20-27(23,24)11-4-2-10(19)3-5-11/h1-8,20H/b14-8+
InChIKey
XZKDCAIBMWHURJ-RIYZIHGNSA-N
Compound name
N-[(5E)-5-[(3,4-dibromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.8126 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.81988 156.6
[M+Na]+ 572.80182 169.6
[M-H]- 548.80532 165.8
[M+NH4]+ 567.84642 169.3
[M+K]+ 588.77576 150.0
[M+H-H2O]+ 532.80986 164.8
[M+HCOO]- 594.81080 159.8
[M+CH3COO]- 608.82645 233.3
[M+Na-2H]- 570.78727 160.9
[M]+ 549.81205 189.3
[M]- 549.81315 189.3
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.