CID 2775106

125647-79-2

Structural Information

Molecular Formula

C₁₁H₅F₆NO₂

SMILES

C1=CC2=C(C=C1OC(F)(F)F)C(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C11H5F6NO2/c12-10(13,14)9-4-8(19)6-3-5(20-11(15,16)17)1-2-7(6)18-9/h1-4H,(H,18,19)

InChIKey

FOSLEIYRFCRULX-UHFFFAOYSA-N

Compound name

6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 297.02246 Da
Monoisotopic Mass: 3.6
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]+	298.02974	157.5
[M+Na]+	320.01168	169.3
[M-H]-	296.01518	152.6
[M+NH4]+	315.05628	172.2
[M+K]+	335.98562	163.8
[M+H-H2O]+	280.01972	146.5
[M+HCOO]-	342.02066	169.3
[M+CH3COO]-	356.03631	198.0
[M+Na-2H]-	317.99713	163.1
[M]+	297.02191	150.5
[M]-	297.02301	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe