CID 3054080

2-imidazolidinone, 1-(4-chloro-3-(trifluoromethyl)phenyl)-5-imino-4,4-dimethyl-

Structural Information

Molecular Formula
C12H11ClF3N3O
SMILES
CC1(C(=N)N(C(=O)N1)C2=CC(=C(C=C2)Cl)C(F)(F)F)C
InChI
InChI=1S/C12H11ClF3N3O/c1-11(2)9(17)19(10(20)18-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5,17H,1-2H3,(H,18,20)
InChIKey
JOIVGWJZFMIXDA-UHFFFAOYSA-N
Compound name
1-[4-chloro-3-(trifluoromethyl)phenyl]-5-imino-4,4-dimethylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

305.05426 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06154 164.5
[M+Na]+ 328.04348 172.8
[M+NH4]+ 323.08808 169.7
[M+K]+ 344.01742 168.2
[M-H]- 304.04698 161.1
[M+Na-2H]- 326.02893 168.2
[M]+ 305.05371 164.6
[M]- 305.05481 164.6
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