CID 676676

(5e)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C10H7FN2OS
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)N2)F
InChI
InChI=1S/C10H7FN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5+
InChIKey
ISEWJUFUPBFYNZ-VMPITWQZSA-N
Compound name
(5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.0263 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03358 146.0
[M+Na]+ 245.01552 155.7
[M-H]- 221.01902 146.7
[M+NH4]+ 240.06012 162.9
[M+K]+ 260.98946 148.8
[M+H-H2O]+ 205.02356 138.8
[M+HCOO]- 267.02450 158.8
[M+CH3COO]- 281.04015 157.3
[M+Na-2H]- 243.00097 144.7
[M]+ 222.02575 140.8
[M]- 222.02685 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.