CID 96261

Ethyl benzilate

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

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

InChI

InChI=1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3

InChIKey

AIPVNQQMYPWQSX-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 256.10995 Da
Monoisotopic Mass: 3.0
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]+	257.11723	159.2
[M+Na]+	279.09917	172.2
[M+NH4]+	274.14377	166.9
[M+K]+	295.07311	165.8
[M-H]-	255.10267	162.2
[M+Na-2H]-	277.08462	168.0
[M]+	256.10940	162.0
[M]-	256.11050	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe