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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99462 152.1
[M+Na]+ 278.97656 163.1
[M-H]- 254.98006 153.0
[M+NH4]+ 274.02116 168.7
[M+K]+ 294.95050 154.7
[M+H-H2O]+ 238.98460 145.7
[M+HCOO]- 300.98554 160.1
[M+CH3COO]- 315.00119 163.2
[M+Na-2H]- 276.96201 149.6
[M]+ 255.98679 149.0
[M]- 255.98789 149.0
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.