CID 5311897

716-81-4

Structural Information

Molecular Formula

C₉H₇F₃N₂O

SMILES

C1C(=O)NC2=C(N1)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15)

InChIKey

DYBIQELZTJXUKA-UHFFFAOYSA-N

Compound name

7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 216.05104 Da
Monoisotopic Mass: 1.8
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]+	217.05832	145.7
[M+Na]+	239.04026	154.4
[M+NH4]+	234.08486	150.7
[M+K]+	255.01420	149.9
[M-H]-	215.04376	141.2
[M+Na-2H]-	237.02571	148.3
[M]+	216.05049	145.2
[M]-	216.05159	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe