CID 458251

6,7,8,9-tetrahydrodibenzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C13H12O3
SMILES
C1CCC2=C(C1)C3=C(O2)C=C(C=C3)C(=O)O
InChI
InChI=1S/C13H12O3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h5-7H,1-4H2,(H,14,15)
InChIKey
MIGQXLZOOHFRSB-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydrodibenzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 143.2
[M+Na]+ 239.06786 152.0
[M-H]- 215.07136 148.3
[M+NH4]+ 234.11246 163.8
[M+K]+ 255.04180 149.5
[M+H-H2O]+ 199.07590 138.1
[M+HCOO]- 261.07684 162.8
[M+CH3COO]- 275.09249 156.6
[M+Na-2H]- 237.05331 149.7
[M]+ 216.07809 144.0
[M]- 216.07919 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.