CID 755497

82039-82-5

Structural Information

Molecular Formula
C18H14O5
SMILES
CC1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C=C3)OCC(=O)O
InChI
InChI=1S/C18H14O5/c1-11-2-4-12(5-3-11)18(21)15-9-23-16-7-6-13(8-14(15)16)22-10-17(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKey
LJKJPOGCAPVQOX-UHFFFAOYSA-N
Compound name
2-[[3-(4-methylbenzoyl)-1-benzofuran-5-yl]oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.091416 168.7
[M+Na]+ 333.073358 177.6
[M-H]- 309.076864 176.7
[M+NH4]+ 328.117963 184.0
[M+K]+ 349.047298 175.3
[M+H-H2O]+ 293.081400 161.8
[M+HCOO]- 355.082341 190.6
[M+CH3COO]- 369.097991 203.0
[M+Na-2H]- 331.058806 172.0
[M]+ 310.08359142 174.6
[M]- 310.08468858 174.6
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

No patent data available for this compound.