CID 280558

Benzhydryl benzoate

Structural Information

Molecular Formula

C₂₀H₁₆O₂

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H16O2/c21-20(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H

InChIKey

ZNRTVHASLDGVBC-UHFFFAOYSA-N

Compound name

benzhydryl benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 288.11502 Da
Monoisotopic Mass: 5.0
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]+	289.12230	168.6
[M+Na]+	311.10424	184.8
[M+NH4]+	306.14884	177.9
[M+K]+	327.07818	175.6
[M-H]-	287.10774	175.8
[M+Na-2H]-	309.08969	181.2
[M]+	288.11447	173.2
[M]-	288.11557	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe