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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06888 153.3
[M+Na]+ 281.05082 162.0
[M-H]- 257.05432 151.1
[M+NH4]+ 276.09542 167.9
[M+K]+ 297.02476 156.4
[M+H-H2O]+ 241.05886 143.9
[M+HCOO]- 303.05980 166.9
[M+CH3COO]- 317.07545 187.7
[M+Na-2H]- 279.03627 154.4
[M]+ 258.06105 145.2
[M]- 258.06215 145.2
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.