CID 8375

2'-hydroxyacetophenone

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

CC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3

InChIKey

JECYUBVRTQDVAT-UHFFFAOYSA-N

Compound name

1-(2-hydroxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 72
References: 7747
Patents: 136.05243 Da
Monoisotopic Mass: 1.9
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]+	137.05971	125.6
[M+Na]+	159.04165	138.4
[M+NH4]+	154.08625	134.2
[M+K]+	175.01559	132.8
[M-H]-	135.04515	127.2
[M+Na-2H]-	157.02710	132.5
[M]+	136.05188	127.8
[M]-	136.05298	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe