CID 522770

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

Structural Information

Molecular Formula
C21H16O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC4=CC=CC=C4O3)O
InChI
InChI=1S/C21H16O2/c22-21(20-14-18-8-4-5-9-19(18)23-20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14,21-22H
InChIKey
ARCUPWRDHBYITA-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl-(4-phenylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

300.11502 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12230 169.3
[M+Na]+ 323.10424 177.7
[M-H]- 299.10774 179.9
[M+NH4]+ 318.14884 184.6
[M+K]+ 339.07818 172.8
[M+H-H2O]+ 283.11228 161.4
[M+HCOO]- 345.11322 191.5
[M+CH3COO]- 359.12887 181.6
[M+Na-2H]- 321.08969 174.6
[M]+ 300.11447 170.8
[M]- 300.11557 170.8
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

patents stripe