CID 3059467

5-(m-(trifluoromethyl)benzyl)hydantoin

Structural Information

Molecular Formula

C₁₁H₉F₃N₂O₂

SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC2C(=O)NC(=O)N2

InChI

InChI=1S/C11H9F3N2O2/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)16-10(18)15-8/h1-4,8H,5H2,(H2,15,16,17,18)

InChIKey

GHVUWTSFTPWSIT-UHFFFAOYSA-N

Compound name

5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 258.0616 Da
Monoisotopic Mass: 1.5
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]+	259.068876	153.3
[M+Na]+	281.050818	162.0
[M-H]-	257.054324	151.1
[M+NH4]+	276.095423	167.9
[M+K]+	297.024758	156.4
[M+H-H2O]+	241.058860	143.9
[M+HCOO]-	303.059801	166.9
[M+CH3COO]-	317.075451	187.7
[M+Na-2H]-	279.036266	154.4
[M]+	258.06105142	145.2
[M]-	258.06214858	145.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.