CID 13396587

95711-59-4

Structural Information

Molecular Formula
C22H19FO4
SMILES
COC1=CC=CC(=C1)C(CC(=O)O)(C2=CC=C(C=C2)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C22H19FO4/c1-27-20-4-2-3-18(13-20)22(26,14-21(24)25)17-9-5-15(6-10-17)16-7-11-19(23)12-8-16/h2-13,26H,14H2,1H3,(H,24,25)
InChIKey
GWQDPANFKIHOSP-UHFFFAOYSA-N
Compound name
3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-3-(3-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12674 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.13402 185.8
[M+Na]+ 389.11596 191.9
[M-H]- 365.11946 191.6
[M+NH4]+ 384.16056 196.0
[M+K]+ 405.08990 186.7
[M+H-H2O]+ 349.12400 176.0
[M+HCOO]- 411.12494 202.8
[M+CH3COO]- 425.14059 212.0
[M+Na-2H]- 387.10141 188.1
[M]+ 366.12619 185.1
[M]- 366.12729 185.1
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

No patent data available for this compound.