CID 3054479

Brn 3977884

Structural Information

Molecular Formula
C21H18O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H18O3/c22-20(23)15-21(24,18-9-5-2-6-10-18)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,24H,15H2,(H,22,23)
InChIKey
MUUUUWWUYQJSAI-UHFFFAOYSA-N
Compound name
3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12558 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13286 175.0
[M+Na]+ 341.11480 179.9
[M-H]- 317.11830 181.6
[M+NH4]+ 336.15940 186.8
[M+K]+ 357.08874 174.4
[M+H-H2O]+ 301.12284 166.4
[M+HCOO]- 363.12378 193.3
[M+CH3COO]- 377.13943 201.8
[M+Na-2H]- 339.10025 179.7
[M]+ 318.12503 172.8
[M]- 318.12613 172.8
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.