CID 3054078

2,4-imidazolidinedione, 3-(4-chloro-3-(trifluoromethyl)phenyl)-5,5-dimethyl-

Structural Information

Molecular Formula
C12H10ClF3N2O2
SMILES
CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)Cl)C(F)(F)F)C
InChI
InChI=1S/C12H10ClF3N2O2/c1-11(2)9(19)18(10(20)17-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3,(H,17,20)
InChIKey
MDHZTJZHWWJUND-UHFFFAOYSA-N
Compound name
3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

306.0383 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04558 160.1
[M+Na]+ 329.02752 172.3
[M-H]- 305.03102 160.1
[M+NH4]+ 324.07212 177.0
[M+K]+ 345.00146 165.9
[M+H-H2O]+ 289.03556 152.2
[M+HCOO]- 351.03650 170.3
[M+CH3COO]- 365.05215 198.9
[M+Na-2H]- 327.01297 160.9
[M]+ 306.03775 157.3
[M]- 306.03885 157.3
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

patents stripe