CID 71683826

2-{naphtho[2,1-b]furan-2-yl}acetic acid

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(O3)CC(=O)O

InChI

InChI=1S/C14H10O3/c15-14(16)8-10-7-12-11-4-2-1-3-9(11)5-6-13(12)17-10/h1-7H,8H2,(H,15,16)

InChIKey

BLXGYVVRBNUSCK-UHFFFAOYSA-N

Compound name

2-benzo[e][1]benzofuran-2-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.06299 Da
Monoisotopic Mass: 3.1
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]+	227.070266	145.7
[M+Na]+	249.052208	156.1
[M-H]-	225.055714	151.5
[M+NH4]+	244.096813	166.0
[M+K]+	265.026148	153.1
[M+H-H2O]+	209.060250	140.4
[M+HCOO]-	271.061191	167.9
[M+CH3COO]-	285.076841	159.8
[M+Na-2H]-	247.037656	153.6
[M]+	226.06244142	149.7
[M]-	226.06353858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.