CID 164721

Phenyl phenylacetate

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

C1=CC=C(C=C1)CC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H12O2/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey

USVNNHYNCCJCCP-UHFFFAOYSA-N

Compound name

phenyl 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2366
Patents: 212.08372 Da
Monoisotopic Mass: 3.3
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]+	213.09100	146.0
[M+Na]+	235.07294	152.6
[M-H]-	211.07644	152.5
[M+NH4]+	230.11754	164.1
[M+K]+	251.04688	149.7
[M+H-H2O]+	195.08098	138.6
[M+HCOO]-	257.08192	170.0
[M+CH3COO]-	271.09757	185.5
[M+Na-2H]-	233.05839	152.8
[M]+	212.08317	146.5
[M]-	212.08427	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe