CID 3054483

Dtxsid50991631

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]+ 309.112136 170.1
[M+Na]+ 331.094078 175.9
[M-H]- 307.097584 178.0
[M+NH4]+ 326.138683 183.1
[M+K]+ 347.068018 172.6
[M+H-H2O]+ 291.102120 162.9
[M+HCOO]- 353.103061 189.4
[M+CH3COO]- 367.118711 197.8
[M+Na-2H]- 329.079526 174.3
[M]+ 308.10431142 170.3
[M]- 308.10540858 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.