CID 13037

Vinyl benzoate

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

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

InChI

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

InChIKey

KOZCZZVUFDCZGG-UHFFFAOYSA-N

Compound name

ethenyl benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 61632
Patents: 148.05243 Da
Monoisotopic Mass: 2.3
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	129.5
[M+Na]+	171.04165	142.4
[M+NH4]+	166.08625	138.0
[M+K]+	187.01559	135.9
[M-H]-	147.04515	131.3
[M+Na-2H]-	169.02710	136.9
[M]+	148.05188	131.7
[M]-	148.05298	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe