CID 1257272

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

Structural Information

Molecular Formula
C15H10FNO2S2
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CC3=CC=CO3)F
InChI
InChI=1S/C15H10FNO2S2/c16-12-6-2-1-4-10(12)8-13-14(18)17(15(20)21-13)9-11-5-3-7-19-11/h1-8H,9H2/b13-8-
InChIKey
MHONNHMTGYCTLM-JYRVWZFOSA-N
Compound name
(5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0137 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.02098 170.2
[M+Na]+ 342.00292 181.7
[M-H]- 318.00642 179.3
[M+NH4]+ 337.04752 187.2
[M+K]+ 357.97686 176.1
[M+H-H2O]+ 302.01096 164.4
[M+HCOO]- 364.01190 182.6
[M+CH3COO]- 378.02755 182.5
[M+Na-2H]- 339.98837 165.5
[M]+ 319.01315 172.3
[M]- 319.01425 172.3
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.