CID 18533715

67483-58-3

Structural Information

Molecular Formula

C₁₆H₁₁NO₂

SMILES

C=CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H11NO2/c1-2-16(18)19-15-9-7-14(8-10-15)13-5-3-12(11-17)4-6-13/h2-10H,1H2

InChIKey

LGWMDELKBMPKSQ-UHFFFAOYSA-N

Compound name

[4-(4-cyanophenyl)phenyl] prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 321
Patents: 249.07898 Da
Monoisotopic Mass: 3.6
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]+	250.086256	160.9
[M+Na]+	272.068198	171.2
[M-H]-	248.071704	166.4
[M+NH4]+	267.112803	176.0
[M+K]+	288.042138	165.2
[M+H-H2O]+	232.076240	147.0
[M+HCOO]-	294.077181	180.6
[M+CH3COO]-	308.092831	205.0
[M+Na-2H]-	270.053646	164.3
[M]+	249.07843142	156.7
[M]-	249.07952858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe