CID 3823803

24522-30-3

Structural Information

Molecular Formula

C₁₀H₇F₃N₂O

SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)CC#N

InChI

InChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)

InChIKey

JBNCFFDGYDZEEN-UHFFFAOYSA-N

Compound name

2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 228.05104 Da
Monoisotopic Mass: 3.0
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]+	229.05832	153.0
[M+Na]+	251.04026	161.6
[M+NH4]+	246.08486	154.9
[M+K]+	267.01420	153.0
[M-H]-	227.04376	143.0
[M+Na-2H]-	249.02571	154.3
[M]+	228.05049	150.3
[M]-	228.05159	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe