CID 16751

Flucarbril

Structural Information

Molecular Formula

C₁₁H₈F₃NO

SMILES

CN1C2=C(C=CC1=O)C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C11H8F3NO/c1-15-9-4-3-8(11(12,13)14)6-7(9)2-5-10(15)16/h2-6H,1H3

InChIKey

BSFJLMNFTBGXQE-UHFFFAOYSA-N

Compound name

1-methyl-6-(trifluoromethyl)quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 29
Patents: 227.0558 Da
Monoisotopic Mass: 2.3
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]+	228.063076	143.6
[M+Na]+	250.045018	155.4
[M-H]-	226.048524	143.9
[M+NH4]+	245.089623	162.2
[M+K]+	266.018958	151.0
[M+H-H2O]+	210.053060	134.8
[M+HCOO]-	272.054001	161.7
[M+CH3COO]-	286.069651	190.0
[M+Na-2H]-	248.030466	150.7
[M]+	227.05525142	141.4
[M]-	227.05634858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe