CID 3054081

5,5-dimethyl-4-imino-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-2-imidazolidinone

Structural Information

Molecular Formula
C12H11F4N3O
SMILES
CC1(C(=N)N(C(=O)N1)C2=CC(=C(C=C2)F)C(F)(F)F)C
InChI
InChI=1S/C12H11F4N3O/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
YGAIHENVDYKRCA-UHFFFAOYSA-N
Compound name
1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-imino-4,4-dimethylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

289.08383 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09111 158.9
[M+Na]+ 312.07305 169.8
[M-H]- 288.07655 157.7
[M+NH4]+ 307.11765 175.3
[M+K]+ 328.04699 164.0
[M+H-H2O]+ 272.08109 149.4
[M+HCOO]- 334.08203 173.5
[M+CH3COO]- 348.09768 200.9
[M+Na-2H]- 310.05850 159.9
[M]+ 289.08328 150.9
[M]- 289.08438 150.9
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