CID 13412525

1-imidazolidinecarboxylic acid, 5,5-dimethyl-2,4-dioxo-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-, ethyl ester

Structural Information

Molecular Formula
C15H14F4N2O4
SMILES
CCOC(=O)N1C(=O)N(C(=O)C1(C)C)C2=CC(=C(C=C2)F)C(F)(F)F
InChI
InChI=1S/C15H14F4N2O4/c1-4-25-13(24)21-12(23)20(11(22)14(21,2)3)8-5-6-10(16)9(7-8)15(17,18)19/h5-7H,4H2,1-3H3
InChIKey
OAFFOYGFBKVOJT-UHFFFAOYSA-N
Compound name
ethyl 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.08896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09624 173.6
[M+Na]+ 385.07818 185.1
[M-H]- 361.08168 173.9
[M+NH4]+ 380.12278 188.2
[M+K]+ 401.05212 181.5
[M+H-H2O]+ 345.08622 164.3
[M+HCOO]- 407.08716 187.5
[M+CH3COO]- 421.10281 213.7
[M+Na-2H]- 383.06363 172.2
[M]+ 362.08841 172.5
[M]- 362.08951 172.5
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

No patent data available for this compound.