CID 3088251

5-bromo-alpha-(4-chlorophenyl)-alpha-(phenylmethyl)-2-benzofuranmethanol

Structural Information

Molecular Formula
C22H16BrClO2
SMILES
C1=CC=C(C=C1)CC(C2=CC=C(C=C2)Cl)(C3=CC4=C(O3)C=CC(=C4)Br)O
InChI
InChI=1S/C22H16BrClO2/c23-18-8-11-20-16(12-18)13-21(26-20)22(25,14-15-4-2-1-3-5-15)17-6-9-19(24)10-7-17/h1-13,25H,14H2
InChIKey
KZIOOAYXNXLWCW-UHFFFAOYSA-N
Compound name
1-(5-bromo-1-benzofuran-2-yl)-1-(4-chlorophenyl)-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.00223 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.00951 197.9
[M+Na]+ 448.99145 210.5
[M-H]- 424.99495 210.5
[M+NH4]+ 444.03605 213.4
[M+K]+ 464.96539 197.4
[M+H-H2O]+ 408.99949 197.4
[M+HCOO]- 471.00043 212.1
[M+CH3COO]- 485.01608 210.5
[M+Na-2H]- 446.97690 203.4
[M]+ 426.00168 220.8
[M]- 426.00278 220.8
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.