CID 3067862

Alpha-(4-chlorophenyl)-7-methoxy-alpha-(phenylmethyl)-2-benzofuranmethanol

Structural Information

Molecular Formula
C23H19ClO3
SMILES
COC1=CC=CC2=C1OC(=C2)C(CC3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C23H19ClO3/c1-26-20-9-5-8-17-14-21(27-22(17)20)23(25,15-16-6-3-2-4-7-16)18-10-12-19(24)13-11-18/h2-14,25H,15H2,1H3
InChIKey
PQTPKSFIMIGKQG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

378.10226 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10954 190.5
[M+Na]+ 401.09148 200.2
[M-H]- 377.09498 201.1
[M+NH4]+ 396.13608 204.0
[M+K]+ 417.06542 194.3
[M+H-H2O]+ 361.09952 182.9
[M+HCOO]- 423.10046 206.9
[M+CH3COO]- 437.11611 201.8
[M+Na-2H]- 399.07693 195.5
[M]+ 378.10171 197.1
[M]- 378.10281 197.1
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