CID 3059884

77384-99-7

Structural Information

Molecular Formula
C12H11F3N2O2
SMILES
CN1C(=O)CCN(C1=O)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C12H11F3N2O2/c1-16-10(18)5-6-17(11(16)19)9-4-2-3-8(7-9)12(13,14)15/h2-4,7H,5-6H2,1H3
InChIKey
TZYYYFDQIXIKTK-UHFFFAOYSA-N
Compound name
3-methyl-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.07727 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08455 164.6
[M+Na]+ 295.06649 174.0
[M+NH4]+ 290.11109 168.7
[M+K]+ 311.04043 169.0
[M-H]- 271.06999 161.7
[M+Na-2H]- 293.05194 167.8
[M]+ 272.07672 164.7
[M]- 272.07782 164.7
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