CID 3059466

Brn 5097634

Structural Information

Molecular Formula
C12H11F3N2O2
SMILES
CN1C(=O)C(NC1=O)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C12H11F3N2O2/c1-17-10(18)9(16-11(17)19)6-7-3-2-4-8(5-7)12(13,14)15/h2-5,9H,6H2,1H3,(H,16,19)
InChIKey
QVYUJAQNGTZTCM-UHFFFAOYSA-N
Compound name
3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.07727 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08455 157.2
[M+Na]+ 295.06649 166.9
[M-H]- 271.06999 156.7
[M+NH4]+ 290.11109 172.3
[M+K]+ 311.04043 161.9
[M+H-H2O]+ 255.07453 147.7
[M+HCOO]- 317.07547 172.0
[M+CH3COO]- 331.09112 194.4
[M+Na-2H]- 293.05194 157.6
[M]+ 272.07672 151.8
[M]- 272.07782 151.8
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.