CID 3743129

5-[(3,4-dichlorophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C16H9Cl2FN2OS
SMILES
C1=CC=C(C(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)NC2=S)F
InChI
InChI=1S/C16H9Cl2FN2OS/c17-10-6-5-9(7-11(10)18)8-13-15(22)21(16(23)20-13)14-4-2-1-3-12(14)19/h1-8H,(H,20,23)
InChIKey
OSMGJNMAUTVZKV-UHFFFAOYSA-N
Compound name
5-[(3,4-dichlorophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.97968 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.98696 179.6
[M+Na]+ 388.96890 191.8
[M-H]- 364.97240 184.6
[M+NH4]+ 384.01350 193.1
[M+K]+ 404.94284 181.6
[M+H-H2O]+ 348.97694 172.0
[M+HCOO]- 410.97788 183.5
[M+CH3COO]- 424.99353 189.7
[M+Na-2H]- 386.95435 174.9
[M]+ 365.97913 180.2
[M]- 365.98023 180.2
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.