CID 141221

2-phenoxyphenylacetonitrile

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2CC#N

InChI

InChI=1S/C14H11NO/c15-11-10-12-6-4-5-9-14(12)16-13-7-2-1-3-8-13/h1-9H,10H2

InChIKey

PCMQCXFXODBYGN-UHFFFAOYSA-N

Compound name

2-(2-phenoxyphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 209.08406 Da
Monoisotopic Mass: 3.1
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]+	210.091336	148.8
[M+Na]+	232.073278	159.0
[M-H]-	208.076784	154.2
[M+NH4]+	227.117883	165.5
[M+K]+	248.047218	153.4
[M+H-H2O]+	192.081320	135.2
[M+HCOO]-	254.082261	169.6
[M+CH3COO]-	268.097911	198.1
[M+Na-2H]-	230.058726	155.3
[M]+	209.08351142	144.4
[M]-	209.08460858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe