CID 6478150

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

Structural Information

Molecular Formula
C10H7FN2OS2
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)N)F
InChI
InChI=1S/C10H7FN2OS2/c11-7-3-1-6(2-4-7)5-8-9(14)13(12)10(15)16-8/h1-5H,12H2/b8-5+
InChIKey
JCUKYKFMRIBKTJ-VMPITWQZSA-N
Compound name
(5E)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99838 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00566 150.8
[M+Na]+ 276.98760 161.4
[M-H]- 252.99110 154.9
[M+NH4]+ 272.03220 169.0
[M+K]+ 292.96154 154.3
[M+H-H2O]+ 236.99564 144.1
[M+HCOO]- 298.99658 162.4
[M+CH3COO]- 313.01223 192.0
[M+Na-2H]- 274.97305 147.7
[M]+ 253.99783 148.6
[M]- 253.99893 148.6
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.