CID 440082

5706-85-4

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C1=CC(=CC=C1C(=O)CO)O

InChI

InChI=1S/C8H8O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,9-10H,5H2

InChIKey

KLAKIAVEMQMVBT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 24
References: 6114
Patents: 152.04735 Da
Monoisotopic Mass: 0.9
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]+	153.054626	128.4
[M+Na]+	175.036568	136.3
[M-H]-	151.040074	129.8
[M+NH4]+	170.081173	148.2
[M+K]+	191.010508	134.3
[M+H-H2O]+	135.044610	123.5
[M+HCOO]-	197.045551	150.2
[M+CH3COO]-	211.061201	170.2
[M+Na-2H]-	173.022016	134.3
[M]+	152.04680142	127.6
[M]-	152.04789858	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe