CID 2736740

175277-96-0

Structural Information

Molecular Formula

C₁₀H₇F₃N₂O

SMILES

CC(=O)NC1=C(C=C(C=C1)C#N)C(F)(F)F

InChI

InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)

InChIKey

OBFBGHKUUCGSPC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 228.05104 Da
Monoisotopic Mass: 1.1
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	152.7
[M+Na]+	251.04026	161.5
[M+NH4]+	246.08486	154.6
[M+K]+	267.01420	153.2
[M-H]-	227.04376	142.7
[M+Na-2H]-	249.02571	153.8
[M]+	228.05049	150.1
[M]-	228.05159	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe