CID 7169

Phenyl benzoate

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

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

InChI

InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H

InChIKey

FCJSHPDYVMKCHI-UHFFFAOYSA-N

Compound name

phenyl benzoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 50
References: 21890
Patents: 198.06808 Da
Monoisotopic Mass: 3.6
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]+	199.07536	142.3
[M+Na]+	221.05730	157.4
[M+NH4]+	216.10190	151.7
[M+K]+	237.03124	149.5
[M-H]-	197.06080	147.1
[M+Na-2H]-	219.04275	153.1
[M]+	198.06753	145.9
[M]-	198.06863	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe