CID 3053199

Adustin

Structural Information

Molecular Formula

C₁₁H₈O₃

SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CO2)O

InChI

InChI=1S/C11H8O3/c12-9-6-7-14-11(9)10(13)8-4-2-1-3-5-8/h1-7,12H

InChIKey

RAFAVNTVTXJMAQ-UHFFFAOYSA-N

Compound name

(3-hydroxyfuran-2-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 188.04735 Da
Monoisotopic Mass: 2.9
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]+	189.05463	137.9
[M+Na]+	211.03657	150.9
[M+NH4]+	206.08117	146.2
[M+K]+	227.01051	147.3
[M-H]-	187.04007	142.1
[M+Na-2H]-	209.02202	145.4
[M]+	188.04680	140.8
[M]-	188.04790	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe