CID 148136

Acetamide, 2,2,2-trifluoro-n-8-quinolinyl-

Structural Information

Molecular Formula

C₁₁H₇F₃N₂O

SMILES

C1=CC2=C(C(=C1)NC(=O)C(F)(F)F)N=CC=C2

InChI

InChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-8-5-1-3-7-4-2-6-15-9(7)8/h1-6H,(H,16,17)

InChIKey

YXWUOVBRRVKKQF-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-quinolin-8-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 240.05104 Da
Monoisotopic Mass: 3.2
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]+	241.05832	147.2
[M+Na]+	263.04026	156.0
[M-H]-	239.04376	146.7
[M+NH4]+	258.08486	164.1
[M+K]+	279.01420	152.0
[M+H-H2O]+	223.04830	137.7
[M+HCOO]-	285.04924	165.3
[M+CH3COO]-	299.06489	192.6
[M+Na-2H]-	261.02571	155.0
[M]+	240.05049	142.8
[M]-	240.05159	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe