CID 562423

39891-55-9

Structural Information

Molecular Formula

C₉H₈O₃

SMILES

C1C(C2=CC=CC=C2O1)C(=O)O

InChI

InChI=1S/C9H8O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H,10,11)

InChIKey

RBIFJUFOAYMXFE-UHFFFAOYSA-N

Compound name

2,3-dihydro-1-benzofuran-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 163
Patents: 164.04735 Da
Monoisotopic Mass: 1.2
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]+	165.05463	130.3
[M+Na]+	187.03657	138.5
[M-H]-	163.04007	134.4
[M+NH4]+	182.08117	151.8
[M+K]+	203.01051	137.7
[M+H-H2O]+	147.04461	125.7
[M+HCOO]-	209.04555	151.5
[M+CH3COO]-	223.06120	173.6
[M+Na-2H]-	185.02202	136.9
[M]+	164.04680	130.5
[M]-	164.04790	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe