CID 94935

Furfuryl phenylacetate

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

C1=CC=C(C=C1)CC(=O)OCC2=CC=CO2

InChI

InChI=1S/C13H12O3/c14-13(9-11-5-2-1-3-6-11)16-10-12-7-4-8-15-12/h1-8H,9-10H2

InChIKey

RQIJJMRWUPHQGB-UHFFFAOYSA-N

Compound name

furan-2-ylmethyl 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 216.07864 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]+	217.08592	147.1
[M+Na]+	239.06786	159.9
[M+NH4]+	234.11246	155.4
[M+K]+	255.04180	155.3
[M-H]-	215.07136	151.6
[M+Na-2H]-	237.05331	154.8
[M]+	216.07809	150.1
[M]-	216.07919	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe