CID 19576778

174186-43-7

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

C1CCC2=C(C1)C3=C(O2)C(=CC=C3)C(=O)O

InChI

InChI=1S/C13H12O3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h3,5-6H,1-2,4,7H2,(H,14,15)

InChIKey

KDCZYMGWMLNLLY-UHFFFAOYSA-N

Compound name

6,7,8,9-tetrahydrodibenzofuran-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 216.07864 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]+	217.08592	143.7
[M+Na]+	239.06786	156.8
[M+NH4]+	234.11246	153.1
[M+K]+	255.04180	152.5
[M-H]-	215.07136	147.3
[M+Na-2H]-	237.05331	148.3
[M]+	216.07809	146.6
[M]-	216.07919	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe