CID 68490

582-24-1

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

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

InChI

InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2

InChIKey

ZWVHTXAYIKBMEE-UHFFFAOYSA-N

Compound name

2-hydroxy-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 448
References: 21404
Patents: 136.05243 Da
Monoisotopic Mass: 1.1
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]+	137.059706	125.3
[M+Na]+	159.041648	132.7
[M-H]-	135.045154	127.7
[M+NH4]+	154.086253	146.2
[M+K]+	175.015588	131.1
[M+H-H2O]+	119.049690	120.1
[M+HCOO]-	181.050631	148.4
[M+CH3COO]-	195.066281	169.6
[M+Na-2H]-	157.027096	132.4
[M]+	136.05188142	124.5
[M]-	136.05297858	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe