CID 3088250

Alpha-(1,1'-biphenyl)-4-yl-alpha-(phenylmethyl)-2-benzofuranmethanol

Structural Information

Molecular Formula
C28H22O2
SMILES
C1=CC=C(C=C1)CC(C2=CC=C(C=C2)C3=CC=CC=C3)(C4=CC5=CC=CC=C5O4)O
InChI
InChI=1S/C28H22O2/c29-28(20-21-9-3-1-4-10-21,27-19-24-13-7-8-14-26(24)30-27)25-17-15-23(16-18-25)22-11-5-2-6-12-22/h1-19,29H,20H2
InChIKey
LXZJWSORIHGSMX-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-2-yl)-2-phenyl-1-(4-phenylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.162 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16928 195.5
[M+Na]+ 413.15122 202.6
[M-H]- 389.15472 208.4
[M+NH4]+ 408.19582 206.4
[M+K]+ 429.12516 196.1
[M+H-H2O]+ 373.15926 185.9
[M+HCOO]- 435.16020 215.5
[M+CH3COO]- 449.17585 205.6
[M+Na-2H]- 411.13667 200.8
[M]+ 390.16145 196.4
[M]- 390.16255 196.4
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.