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 162.1
[M+Na]+ 328.04348 173.6
[M-H]- 304.04698 162.1
[M+NH4]+ 323.08808 178.8
[M+K]+ 344.01742 166.5
[M+H-H2O]+ 288.05152 154.0
[M+HCOO]- 350.05246 173.2
[M+CH3COO]- 364.06811 201.8
[M+Na-2H]- 326.02893 163.3
[M]+ 305.05371 157.3
[M]- 305.05481 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

No literature data available for this compound.

Patent stripe

patents stripe