CID 5725407

2-thioxo-5-[3-(trifluoromethyl)benzylidene]-4-imidazolidinone

Structural Information

Molecular Formula
C11H7F3N2OS
SMILES
C1=CC(=CC(=C1)C(F)(F)F)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)16-10(18)15-8/h1-5H,(H2,15,16,17,18)/b8-5+
InChIKey
KZHLEYYJCNWLMW-VMPITWQZSA-N
Compound name
(5E)-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.02313 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03041 156.1
[M+Na]+ 295.01235 165.7
[M-H]- 271.01585 154.0
[M+NH4]+ 290.05695 170.9
[M+K]+ 310.98629 158.1
[M+H-H2O]+ 255.02039 147.4
[M+HCOO]- 317.02133 164.8
[M+CH3COO]- 331.03698 187.8
[M+Na-2H]- 292.99780 154.1
[M]+ 272.02258 148.4
[M]- 272.02368 148.4
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.