CID 21837674

92254-23-4

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CO

InChI

InChI=1S/C14H12O3/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9,15H,10H2

InChIKey

IOSCPIQFGPNXOA-UHFFFAOYSA-N

Compound name

2-hydroxy-1-(4-phenoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 228.07864 Da
Monoisotopic Mass: 2.5
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]+	229.08592	148.9
[M+Na]+	251.06786	155.9
[M-H]-	227.07136	154.4
[M+NH4]+	246.11246	165.8
[M+K]+	267.04180	152.7
[M+H-H2O]+	211.07590	141.7
[M+HCOO]-	273.07684	171.7
[M+CH3COO]-	287.09249	186.7
[M+Na-2H]-	249.05331	154.6
[M]+	228.07809	149.5
[M]-	228.07919	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe