CID 2771878

3-(2-furyl)-3-phenylpropanoic acid

Structural Information

Molecular Formula
C13H12O3
SMILES
C1=CC=C(C=C1)C(CC(=O)O)C2=CC=CO2
InChI
InChI=1S/C13H12O3/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,14,15)
InChIKey
SURWKZCXLRGYFM-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

216.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 147.5
[M+Na]+ 239.06786 159.4
[M+NH4]+ 234.11246 155.3
[M+K]+ 255.04180 155.9
[M-H]- 215.07136 151.3
[M+Na-2H]- 237.05331 154.3
[M]+ 216.07809 150.1
[M]- 216.07919 150.1
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