CID 61242

Phenyl acrylate

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C=CC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C9H8O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2

InChIKey

WRAQQYDMVSCOTE-UHFFFAOYSA-N

Compound name

phenyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 58197
Patents: 148.05243 Da
Monoisotopic Mass: 2.1
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]+	149.05971	128.0
[M+Na]+	171.04165	135.8
[M-H]-	147.04515	131.8
[M+NH4]+	166.08625	149.2
[M+K]+	187.01559	134.3
[M+H-H2O]+	131.04969	122.5
[M+HCOO]-	193.05063	152.5
[M+CH3COO]-	207.06628	173.7
[M+Na-2H]-	169.02710	135.1
[M]+	148.05188	128.7
[M]-	148.05298	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe