CID 285540

31009-34-4

Structural Information

Molecular Formula

C₁₀H₅F₄NO

SMILES

C1=CC2=C(C=C1F)C(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C10H5F4NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-4H,(H,15,16)

InChIKey

FNDABQIPEQHTNR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 231.03073 Da
Monoisotopic Mass: 2.6
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]+	232.03801	150.0
[M+Na]+	254.01995	159.7
[M+NH4]+	249.06455	154.8
[M+K]+	269.99389	154.4
[M-H]-	230.02345	145.8
[M+Na-2H]-	252.00540	153.5
[M]+	231.03018	149.9
[M]-	231.03128	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe