CID 2737339

31009-31-1

Structural Information

Molecular Formula

C₁₀H₅F₄NO

SMILES

C1=CC2=C(C(=C1)F)NC(=CC2=O)C(F)(F)F

InChI

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

InChIKey

UQFKMXKVHWMPPC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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	142.4
[M+Na]+	254.01995	154.2
[M-H]-	230.02345	140.0
[M+NH4]+	249.06455	159.9
[M+K]+	269.99389	148.7
[M+H-H2O]+	214.02799	133.1
[M+HCOO]-	276.02893	158.1
[M+CH3COO]-	290.04458	187.3
[M+Na-2H]-	252.00540	148.9
[M]+	231.03018	136.8
[M]-	231.03128	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe