CID 3054480

Brn 3991867

Structural Information

Molecular Formula
C21H17ClO3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C21H17ClO3/c22-19-12-10-18(11-13-19)21(25,14-20(23)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,25H,14H2,(H,23,24)
InChIKey
UOBZVFNKWOMGOW-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0866 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09388 183.7
[M+Na]+ 375.07582 199.6
[M+NH4]+ 370.12042 191.6
[M+K]+ 391.04976 191.2
[M-H]- 351.07932 189.1
[M+Na-2H]- 373.06127 194.2
[M]+ 352.08605 188.0
[M]- 352.08715 188.0
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.