CID 4183587

2-cyano-n-(4-fluorobenzyl)acetamide

Structural Information

Molecular Formula

C₁₀H₉FN₂O

SMILES

C1=CC(=CC=C1CNC(=O)CC#N)F

InChI

InChI=1S/C10H9FN2O/c11-9-3-1-8(2-4-9)7-13-10(14)5-6-12/h1-4H,5,7H2,(H,13,14)

InChIKey

JMWIYDKCDJIKLV-UHFFFAOYSA-N

Compound name

2-cyano-N-[(4-fluorophenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 192.06989 Da
Monoisotopic Mass: 1.0
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]+	193.07717	144.2
[M+Na]+	215.05911	154.8
[M+NH4]+	210.10371	148.0
[M+K]+	231.03305	145.2
[M-H]-	191.06261	137.5
[M+Na-2H]-	213.04456	147.3
[M]+	192.06934	142.7
[M]-	192.07044	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe