CID 348329

4,4-diphenyl-3-butenoic acid

Structural Information

Molecular Formula

C₁₆H₁₄O₂

SMILES

C1=CC=C(C=C1)C(=CCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H14O2/c17-16(18)12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2,(H,17,18)

InChIKey

MGPHWSQUSKFMKT-UHFFFAOYSA-N

Compound name

4,4-diphenylbut-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 238.09938 Da
Monoisotopic Mass: 3.9
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]+	239.10666	155.6
[M+Na]+	261.08860	169.1
[M+NH4]+	256.13320	163.7
[M+K]+	277.06254	161.6
[M-H]-	237.09210	159.2
[M+Na-2H]-	259.07405	164.4
[M]+	238.09883	158.5
[M]-	238.09993	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe