CID 687303

Akos002234932

Structural Information

Molecular Formula
C10H6Cl2N2OS
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C10H6Cl2N2OS/c11-6-2-1-5(7(12)4-6)3-8-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16)/b8-3+
InChIKey
XAMWGBWREMYZKV-FPYGCLRLSA-N
Compound name
(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.9578 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.96508 156.8
[M+Na]+ 294.94702 167.8
[M-H]- 270.95052 158.4
[M+NH4]+ 289.99162 173.2
[M+K]+ 310.92096 158.9
[M+H-H2O]+ 254.95506 151.9
[M+HCOO]- 316.95600 160.7
[M+CH3COO]- 330.97165 167.6
[M+Na-2H]- 292.93247 154.1
[M]+ 271.95725 155.5
[M]- 271.95835 155.5
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.