CID 614881

15912-66-0

Structural Information

Molecular Formula

C₁₁H₈F₃NO

SMILES

CC1=CC(=O)C2=C(N1)C=C(C=C2)C(F)(F)F

InChI

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

InChIKey

IIABTAZQWRTZHG-UHFFFAOYSA-N

Compound name

2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 13
Patents: 227.0558 Da
Monoisotopic Mass: 2.8
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]+	228.06308	144.1
[M+Na]+	250.04502	155.5
[M-H]-	226.04852	143.0
[M+NH4]+	245.08962	162.0
[M+K]+	266.01896	150.2
[M+H-H2O]+	210.05306	135.7
[M+HCOO]-	272.05400	160.6
[M+CH3COO]-	286.06965	187.4
[M+Na-2H]-	248.03047	150.7
[M]+	227.05525	140.1
[M]-	227.05635	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe