CID 4444925

Methyl beta-phenylcinnamate

Structural Information

Molecular Formula

C₁₆H₁₄O₂

SMILES

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

InChI

InChI=1S/C16H14O2/c1-18-16(17)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3

InChIKey

HJCAYZRFYQQKOK-UHFFFAOYSA-N

Compound name

methyl 3,3-diphenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 238.09938 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]+	239.106656	154.4
[M+Na]+	261.088598	160.3
[M-H]-	237.092104	160.7
[M+NH4]+	256.133203	171.4
[M+K]+	277.062538	156.8
[M+H-H2O]+	221.096640	146.9
[M+HCOO]-	283.097581	177.0
[M+CH3COO]-	297.113231	190.8
[M+Na-2H]-	259.074046	159.0
[M]+	238.09883142	154.2
[M]-	238.09992858	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe