CID 6478131

2-chloro-n-[(5e)-5-[(3,4-dibromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzenesulfonamide

Structural Information

Molecular Formula
C16H9Br2ClN2O3S3
SMILES
C1=CC=C(C(=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Br)Br)/SC2=S)Cl
InChI
InChI=1S/C16H9Br2ClN2O3S3/c17-10-6-5-9(7-11(10)18)8-13-15(22)21(16(25)26-13)20-27(23,24)14-4-2-1-3-12(14)19/h1-8,20H/b13-8+
InChIKey
QNODYOGPGACUDJ-MDWZMJQESA-N
Compound name
2-chloro-N-[(5E)-5-[(3,4-dibromophenyl)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

565.7831 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.79038 159.0
[M+Na]+ 588.77232 172.8
[M-H]- 564.77582 169.6
[M+NH4]+ 583.81692 172.1
[M+K]+ 604.74626 152.6
[M+H-H2O]+ 548.78036 168.6
[M+HCOO]- 610.78130 159.5
[M+CH3COO]- 624.79695 233.9
[M+Na-2H]- 586.75777 163.6
[M]+ 565.78255 193.7
[M]- 565.78365 193.7
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.