CID 44208259

1123762-24-2

Structural Information

Molecular Formula

C₁₀H₈F₃NO

SMILES

C1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C10H8F3NO/c11-10(12,13)7-3-1-6-2-4-9(15)14-8(6)5-7/h1,3,5H,2,4H2,(H,14,15)

InChIKey

BXFVUNFYULIQLT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.0558 Da
Monoisotopic Mass: 2.0
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]+	216.06308	147.0
[M+Na]+	238.04502	156.3
[M+NH4]+	233.08962	152.9
[M+K]+	254.01896	150.9
[M-H]-	214.04852	143.7
[M+Na-2H]-	236.03047	150.2
[M]+	215.05525	147.0
[M]-	215.05635	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe