CID 3022017

Brn 5602023

Structural Information

Molecular Formula
C13H13F4N3O
SMILES
CC1(C(=NC)N(C(=O)N1)C2=CC(=C(C=C2)F)C(F)(F)F)C
InChI
InChI=1S/C13H13F4N3O/c1-12(2)10(18-3)20(11(21)19-12)7-4-5-9(14)8(6-7)13(15,16)17/h4-6H,1-3H3,(H,19,21)
InChIKey
IFPCXEFEUAUPNK-UHFFFAOYSA-N
Compound name
1-[4-fluoro-3-(trifluoromethyl)phenyl]-4,4-dimethyl-5-methyliminoimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0995 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10678 163.0
[M+Na]+ 326.08872 173.9
[M-H]- 302.09222 163.0
[M+NH4]+ 321.13332 179.6
[M+K]+ 342.06266 168.8
[M+H-H2O]+ 286.09676 153.1
[M+HCOO]- 348.09770 178.8
[M+CH3COO]- 362.11335 205.6
[M+Na-2H]- 324.07417 163.9
[M]+ 303.09895 157.1
[M]- 303.10005 157.1
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.