CID 280558

Diphenylmethyl 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: 129
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]+	289.122296	168.0
[M+Na]+	311.104238	172.8
[M-H]-	287.107744	176.9
[M+NH4]+	306.148843	182.1
[M+K]+	327.078178	168.4
[M+H-H2O]+	271.112280	158.7
[M+HCOO]-	333.113221	190.1
[M+CH3COO]-	347.128871	179.0
[M+Na-2H]-	309.089686	172.7
[M]+	288.11447142	167.0
[M]-	288.11556858	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe