CID 99611

1075-06-5

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

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

InChI

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

InChIKey

NBIBDIKAOBCFJN-UHFFFAOYSA-N

Compound name

2,2-dihydroxy-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1112
Patents: 152.04735 Da
Monoisotopic Mass: 0.5
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]+	153.05463	129.9
[M+Na]+	175.03657	140.9
[M+NH4]+	170.08117	137.3
[M+K]+	191.01051	136.7
[M-H]-	151.04007	130.1
[M+Na-2H]-	173.02202	135.4
[M]+	152.04680	131.2
[M]-	152.04790	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe