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

23
Patents

216.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.085916 143.2
[M+Na]+ 239.067858 152.0
[M-H]- 215.071364 148.3
[M+NH4]+ 234.112463 163.8
[M+K]+ 255.041798 149.5
[M+H-H2O]+ 199.075900 138.1
[M+HCOO]- 261.076841 162.8
[M+CH3COO]- 275.092491 156.6
[M+Na-2H]- 237.053306 149.7
[M]+ 216.07809142 144.0
[M]- 216.07918858 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

patents stripe