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 158.2
[M+Na]+ 295.06649 167.4
[M-H]- 271.06999 158.5
[M+NH4]+ 290.11109 171.9
[M+K]+ 311.04043 163.2
[M+H-H2O]+ 255.07453 147.6
[M+HCOO]- 317.07547 172.1
[M+CH3COO]- 331.09112 197.4
[M+Na-2H]- 293.05194 160.4
[M]+ 272.07672 152.3
[M]- 272.07782 152.3
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