CID 13102751

3-(1-hydroxyethyl)benzophenone

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

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

InChI

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

InChIKey

VIGLCJZNAGRKFZ-UHFFFAOYSA-N

Compound name

[3-(1-hydroxyethyl)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 55
Patents: 226.09938 Da
Monoisotopic Mass: 2.6
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	151.2
[M+Na]+	249.08860	165.3
[M+NH4]+	244.13320	159.8
[M+K]+	265.06254	158.3
[M-H]-	225.09210	155.2
[M+Na-2H]-	247.07405	160.2
[M]+	226.09883	154.4
[M]-	226.09993	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe