CID 3054483

71315-16-7

Structural Information

Molecular Formula
C19H16O4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)(C3=CC=CO3)O
InChI
InChI=1S/C19H16O4/c20-18(21)13-19(22,17-7-4-12-23-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-12,22H,13H2,(H,20,21)
InChIKey
BAHQNJTUXOYSSF-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 170.1
[M+Na]+ 331.09408 175.9
[M-H]- 307.09758 178.0
[M+NH4]+ 326.13868 183.1
[M+K]+ 347.06802 172.6
[M+H-H2O]+ 291.10212 162.9
[M+HCOO]- 353.10306 189.4
[M+CH3COO]- 367.11871 197.8
[M+Na-2H]- 329.07953 174.3
[M]+ 308.10431 170.3
[M]- 308.10541 170.3
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.