CID 238201

6301-56-0

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

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

InChI

InChI=1S/C15H14O2/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3

InChIKey

FFQZMOHAQYZTNR-UHFFFAOYSA-N

Compound name

ethyl 4-phenylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 226.09938 Da
Monoisotopic Mass: 4.3
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]+	227.106656	150.1
[M+Na]+	249.088598	157.3
[M-H]-	225.092104	156.8
[M+NH4]+	244.133203	168.0
[M+K]+	265.062538	154.2
[M+H-H2O]+	209.096640	142.7
[M+HCOO]-	271.097581	173.9
[M+CH3COO]-	285.113231	189.6
[M+Na-2H]-	247.074046	155.7
[M]+	226.09883142	151.4
[M]-	226.09992858	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe