CID 274281

954-67-6

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

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

InChI

InChI=1S/C15H14O2/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3

InChIKey

QBKMWJRMLACRJD-UHFFFAOYSA-N

Compound name

benzhydryl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 251
Patents: 226.09938 Da
Monoisotopic Mass: 3.3
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]+	227.10666	150.8
[M+Na]+	249.08860	156.7
[M-H]-	225.09210	157.2
[M+NH4]+	244.13320	168.2
[M+K]+	265.06254	154.0
[M+H-H2O]+	209.09664	143.3
[M+HCOO]-	271.09758	173.5
[M+CH3COO]-	285.11323	189.3
[M+Na-2H]-	247.07405	155.9
[M]+	226.09883	151.0
[M]-	226.09993	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe