CID 93890

58743-75-2

Structural Information

Molecular Formula

C₁₅H₁₃N

SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3

InChIKey

DLLIPJSMDJCZRF-UHFFFAOYSA-N

Compound name

4-(4-ethylphenyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 637
Patents: 207.1048 Da
Monoisotopic Mass: 4.1
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]+	208.11208	149.3
[M+Na]+	230.09402	164.6
[M+NH4]+	225.13862	155.7
[M+K]+	246.06796	152.5
[M-H]-	206.09752	147.5
[M+Na-2H]-	228.07947	156.9
[M]+	207.10425	150.4
[M]-	207.10535	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe