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: 3
Patents: 272.07727 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	273.084546	158.2
[M+Na]+	295.066488	167.4
[M-H]-	271.069994	158.5
[M+NH4]+	290.111093	171.9
[M+K]+	311.040428	163.2
[M+H-H2O]+	255.074530	147.6
[M+HCOO]-	317.075471	172.1
[M+CH3COO]-	331.091121	197.4
[M+Na-2H]-	293.051936	160.4
[M]+	272.07672142	152.3
[M]-	272.07781858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe