CID 137612

2491-31-8

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C14H12O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9,15H,10H2

InChIKey

VGHVJQXWDXRTRJ-UHFFFAOYSA-N

Compound name

1-(2-hydroxyphenyl)-2-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 448
Patents: 212.08372 Da
Monoisotopic Mass: 3.7
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]+	213.090996	145.6
[M+Na]+	235.072938	152.7
[M-H]-	211.076444	151.1
[M+NH4]+	230.117543	163.3
[M+K]+	251.046878	148.9
[M+H-H2O]+	195.080980	138.8
[M+HCOO]-	257.081921	168.2
[M+CH3COO]-	271.097571	184.7
[M+Na-2H]-	233.058386	151.4
[M]+	212.08317142	144.8
[M]-	212.08426858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe