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: 83
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]+	210.09134	149.5
[M+Na]+	232.07328	164.1
[M+NH4]+	227.11788	155.5
[M+K]+	248.04722	152.4
[M-H]-	208.07678	147.1
[M+Na-2H]-	230.05873	156.9
[M]+	209.08351	150.3
[M]-	209.08461	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe