CID 3022014

Brn 5600164

Structural Information

Molecular Formula
C13H12ClF3N2O2
SMILES
CCC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)Cl)C(F)(F)F)C
InChI
InChI=1S/C13H12ClF3N2O2/c1-3-12(2)10(20)19(11(21)18-12)7-4-5-9(14)8(6-7)13(15,16)17/h4-6H,3H2,1-2H3,(H,18,21)
InChIKey
OPWMVLZLBAKGHS-UHFFFAOYSA-N
Compound name
3-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethyl-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05392 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06120 164.6
[M+Na]+ 343.04314 176.4
[M-H]- 319.04664 164.5
[M+NH4]+ 338.08774 181.0
[M+K]+ 359.01708 169.8
[M+H-H2O]+ 303.05118 156.5
[M+HCOO]- 365.05212 174.6
[M+CH3COO]- 379.06777 201.8
[M+Na-2H]- 341.02859 165.0
[M]+ 320.05337 162.2
[M]- 320.05447 162.2
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.