CID 146155447

4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C15H11F3N2O
SMILES
C1C(=O)NC2=CC=CC=C2N1C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H11F3N2O/c16-15(17,18)10-4-3-5-11(8-10)20-9-14(21)19-12-6-1-2-7-13(12)20/h1-8H,9H2,(H,19,21)
InChIKey
UGWXSOOTBQQCFL-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)phenyl]-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08234 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08962 165.3
[M+Na]+ 315.07156 174.1
[M-H]- 291.07506 164.8
[M+NH4]+ 310.11616 178.2
[M+K]+ 331.04550 167.2
[M+H-H2O]+ 275.07960 153.9
[M+HCOO]- 337.08054 177.4
[M+CH3COO]- 351.09619 174.6
[M+Na-2H]- 313.05701 170.1
[M]+ 292.08179 157.7
[M]- 292.08289 157.7
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

No patent data available for this compound.