CID 5702407

Hms562m13

Structural Information

Molecular Formula

C₁₀H₆ClFN₂OS

SMILES

C1=CC(=C(C(=C1)Cl)/C=C\2/C(=O)NC(=S)N2)F

InChI

InChI=1S/C10H6ClFN2OS/c11-6-2-1-3-7(12)5(6)4-8-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16)/b8-4-

InChIKey

VSLRVRCQMOQRLI-YWEYNIOJSA-N

Compound name

(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 255.98734 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.994616	152.1
[M+Na]+	278.976558	163.1
[M-H]-	254.980064	153.0
[M+NH4]+	274.021163	168.7
[M+K]+	294.950498	154.7
[M+H-H2O]+	238.984600	145.7
[M+HCOO]-	300.985541	160.1
[M+CH3COO]-	315.001191	163.2
[M+Na-2H]-	276.962006	149.6
[M]+	255.98679142	149.0
[M]-	255.98788858	149.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.