CID 23005307

1210059-73-6

Structural Information

Molecular Formula

C₁₁H₈O₃

SMILES

C1=CC2=C(C=CO2)C=C1/C=C/C(=O)O

InChI

InChI=1S/C11H8O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-7H,(H,12,13)/b4-2+

InChIKey

MXISLJRYQRFUPN-DUXPYHPUSA-N

Compound name

(E)-3-(1-benzofuran-5-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 188.04735 Da
Monoisotopic Mass: 2.3
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	137.0
[M+Na]+	211.03657	150.0
[M+NH4]+	206.08117	145.1
[M+K]+	227.01051	146.0
[M-H]-	187.04007	139.4
[M+Na-2H]-	209.02202	142.5
[M]+	188.04680	139.4
[M]-	188.04790	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe