CID 3052164

Acetic acid, ((4-(3-furanylcarbonyl)-1-naphthalenyl)oxy)-

Structural Information

Molecular Formula
C17H12O5
SMILES
C1=CC=C2C(=C1)C(=CC=C2OCC(=O)O)C(=O)C3=COC=C3
InChI
InChI=1S/C17H12O5/c18-16(19)10-22-15-6-5-14(12-3-1-2-4-13(12)15)17(20)11-7-8-21-9-11/h1-9H,10H2,(H,18,19)
InChIKey
GTCKOFQFROVCDW-UHFFFAOYSA-N
Compound name
2-[4-(furan-3-carbonyl)naphthalen-1-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.06848 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe