CID 3052173

Acetic acid, ((4-(2-benzofuranylcarbonyl)-1-naphthalenyl)oxy)-

Structural Information

Molecular Formula
C21H14O5
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)C3=CC=C(C4=CC=CC=C43)OCC(=O)O
InChI
InChI=1S/C21H14O5/c22-20(23)12-25-18-10-9-16(14-6-2-3-7-15(14)18)21(24)19-11-13-5-1-4-8-17(13)26-19/h1-11H,12H2,(H,22,23)
InChIKey
BUKLIHQQJFHKQG-UHFFFAOYSA-N
Compound name
2-[4-(1-benzofuran-2-carbonyl)naphthalen-1-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08414 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.091416 178.1
[M+Na]+ 369.073358 186.7
[M-H]- 345.076864 186.7
[M+NH4]+ 364.117963 192.5
[M+K]+ 385.047298 183.5
[M+H-H2O]+ 329.081400 170.5
[M+HCOO]- 391.082341 198.4
[M+CH3COO]- 405.097991 189.7
[M+Na-2H]- 367.058806 182.5
[M]+ 346.08359142 183.5
[M]- 346.08468858 183.5
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

No patent data available for this compound.