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]+ 273.084546 157.2
[M+Na]+ 295.066488 166.9
[M-H]- 271.069994 156.7
[M+NH4]+ 290.111093 172.3
[M+K]+ 311.040428 161.9
[M+H-H2O]+ 255.074530 147.7
[M+HCOO]- 317.075471 172.0
[M+CH3COO]- 331.091121 194.4
[M+Na-2H]- 293.051936 157.6
[M]+ 272.07672142 151.8
[M]- 272.07781858 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.