CID 13396586

95711-57-2

Structural Information

Molecular Formula
C22H19FO3
SMILES
CC1=CC(=CC=C1)C(CC(=O)O)(C2=CC=C(C=C2)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C22H19FO3/c1-15-3-2-4-19(13-15)22(26,14-21(24)25)18-9-5-16(6-10-18)17-7-11-20(23)12-8-17/h2-13,26H,14H2,1H3,(H,24,25)
InChIKey
KZZRQQCMOUJDKR-UHFFFAOYSA-N
Compound name
3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-3-(3-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13184 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13912 182.5
[M+Na]+ 373.12106 188.9
[M-H]- 349.12456 188.4
[M+NH4]+ 368.16566 193.6
[M+K]+ 389.09500 182.9
[M+H-H2O]+ 333.12910 173.1
[M+HCOO]- 395.13004 199.5
[M+CH3COO]- 409.14569 209.8
[M+Na-2H]- 371.10651 184.7
[M]+ 350.13129 180.5
[M]- 350.13239 180.5
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.