CID 13184686

Sodium alpha-methyldibenzofuran-2-acetate

Structural Information

Molecular Formula
C15H12O3
SMILES
CC(C1=CC2=C(C=C1)OC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C15H12O3/c1-9(15(16)17)10-6-7-14-12(8-10)11-4-2-3-5-13(11)18-14/h2-9H,1H3,(H,16,17)
InChIKey
SJZYLHAGVNSSLO-UHFFFAOYSA-N
Compound name
2-dibenzofuran-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

240.07864 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 151.1
[M+Na]+ 263.067858 160.7
[M-H]- 239.071364 156.7
[M+NH4]+ 258.112463 170.7
[M+K]+ 279.041798 158.0
[M+H-H2O]+ 223.075900 145.6
[M+HCOO]- 285.076841 171.9
[M+CH3COO]- 299.092491 164.6
[M+Na-2H]- 261.053306 157.2
[M]+ 240.07809142 154.8
[M]- 240.07918858 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe