CID 3054229

Brn 5606030

Structural Information

Molecular Formula
C14H14ClF3N2O2
SMILES
CCC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)Cl)C(F)(F)F)CC
InChI
InChI=1S/C14H14ClF3N2O2/c1-3-13(4-2)11(21)20(12(22)19-13)8-5-6-10(15)9(7-8)14(16,17)18/h5-7H,3-4H2,1-2H3,(H,19,22)
InChIKey
SEKGVEZBWYPTMC-UHFFFAOYSA-N
Compound name
3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-diethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.06958 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07686 169.2
[M+Na]+ 357.05880 180.5
[M-H]- 333.06230 168.8
[M+NH4]+ 352.10340 184.9
[M+K]+ 373.03274 173.7
[M+H-H2O]+ 317.06684 160.9
[M+HCOO]- 379.06778 178.8
[M+CH3COO]- 393.08343 204.8
[M+Na-2H]- 355.04425 169.0
[M]+ 334.06903 167.1
[M]- 334.07013 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe