CID 595655

Benzofuran-3-carboxylic acid

Structural Information

Molecular Formula

C₉H₆O₃

SMILES

C1=CC=C2C(=C1)C(=CO2)C(=O)O

InChI

InChI=1S/C9H6O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11)

InChIKey

BENJFDPHDCGUAQ-UHFFFAOYSA-N

Compound name

1-benzofuran-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 524
Patents: 162.0317 Da
Monoisotopic Mass: 1.9
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]+	163.03898	128.2
[M+Na]+	185.02092	141.6
[M+NH4]+	180.06552	137.0
[M+K]+	200.99486	138.2
[M-H]-	161.02442	131.0
[M+Na-2H]-	183.00637	134.4
[M]+	162.03115	130.9
[M]-	162.03225	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe