CID 93892

58743-77-4

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3

InChIKey

RINYLKSNGRLNCU-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 501
Patents: 209.08406 Da
Monoisotopic Mass: 3.2
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	148.1
[M+Na]+	232.07328	163.1
[M+NH4]+	227.11788	154.1
[M+K]+	248.04722	151.7
[M-H]-	208.07678	145.8
[M+Na-2H]-	230.05873	155.5
[M]+	209.08351	149.0
[M]-	209.08461	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe