CID 375820

Nsc655984

Structural Information

Molecular Formula
C18H16O5
SMILES
C1=CC(=C2C(=C1)C3=CC=CC(=C3O2)CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C18H16O5/c19-15(20)9-7-11-3-1-5-13-14-6-2-4-12(8-10-16(21)22)18(14)23-17(11)13/h1-6H,7-10H2,(H,19,20)(H,21,22)
InChIKey
VMOREDRCSHIRTH-UHFFFAOYSA-N
Compound name
3-[6-(2-carboxyethyl)dibenzofuran-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.09976 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 170.2
[M+Na]+ 335.08898 178.7
[M-H]- 311.09248 174.2
[M+NH4]+ 330.13358 186.1
[M+K]+ 351.06292 175.4
[M+H-H2O]+ 295.09702 164.3
[M+HCOO]- 357.09796 188.9
[M+CH3COO]- 371.11361 202.5
[M+Na-2H]- 333.07443 173.8
[M]+ 312.09921 175.6
[M]- 312.10031 175.6
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