CID 6475229

5-(3,5-difluorobenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C10H6F2N2OS
SMILES
C1=C(C=C(C=C1F)F)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C10H6F2N2OS/c11-6-1-5(2-7(12)4-6)3-8-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16)/b8-3+
InChIKey
HDYSKXOVXHJXFX-FPYGCLRLSA-N
Compound name
(5E)-5-[(3,5-difluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.01689 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02417 147.9
[M+Na]+ 263.00611 158.4
[M-H]- 239.00961 147.5
[M+NH4]+ 258.05071 164.3
[M+K]+ 278.98005 151.0
[M+H-H2O]+ 223.01415 140.0
[M+HCOO]- 285.01509 159.5
[M+CH3COO]- 299.03074 183.6
[M+Na-2H]- 260.99156 145.4
[M]+ 240.01634 142.0
[M]- 240.01744 142.0
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.