CID 2806121

1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrazine-2,3-dione

Structural Information

Molecular Formula
C11H7F3N2O2
SMILES
C1=CC(=CC(=C1)N2C=CNC(=O)C2=O)C(F)(F)F
InChI
InChI=1S/C11H7F3N2O2/c12-11(13,14)7-2-1-3-8(6-7)16-5-4-15-9(17)10(16)18/h1-6H,(H,15,17)
InChIKey
RHGXMSNPKIWRID-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)phenyl]-1H-pyrazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

256.04596 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.053236 150.4
[M+Na]+ 279.035178 161.8
[M-H]- 255.038684 150.2
[M+NH4]+ 274.079783 164.1
[M+K]+ 295.009118 156.1
[M+H-H2O]+ 239.043220 140.0
[M+HCOO]- 301.044161 167.4
[M+CH3COO]- 315.059811 189.8
[M+Na-2H]- 277.020626 156.3
[M]+ 256.04541142 146.2
[M]- 256.04650858 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.