CID 755496

82039-81-4

Structural Information

Molecular Formula
C17H12O5
SMILES
C1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C=C3)OCC(=O)O
InChI
InChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-15-13(8-12)14(9-22-15)17(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
InChIKey
KBXOJEAZTMJGBZ-UHFFFAOYSA-N
Compound name
2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

13
Patents

296.06848 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 164.1
[M+Na]+ 319.05770 177.8
[M+NH4]+ 314.10230 171.1
[M+K]+ 335.03164 174.1
[M-H]- 295.06120 168.1
[M+Na-2H]- 317.04315 170.7
[M]+ 296.06793 167.1
[M]- 296.06903 167.1
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