CID 1205593

5-(4-bromo-benzylidene)-2-thioxo-thiazolidin-4-one

Structural Information

Molecular Formula
C10H6BrNOS2
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)S2)Br
InChI
InChI=1S/C10H6BrNOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5+
InChIKey
ZVYBZARCCHWNBP-VMPITWQZSA-N
Compound name
(5E)-5-[(4-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.9074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.91468 142.0
[M+Na]+ 321.89662 156.1
[M-H]- 297.90012 149.4
[M+NH4]+ 316.94122 162.4
[M+K]+ 337.87056 141.2
[M+H-H2O]+ 281.90466 143.5
[M+HCOO]- 343.90560 152.0
[M+CH3COO]- 357.92125 156.6
[M+Na-2H]- 319.88207 143.1
[M]+ 298.90685 159.2
[M]- 298.90795 159.2
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.