CID 198600

82158-26-7

Structural Information

Molecular Formula
C22H17ClO2
SMILES
C1=CC=C(C=C1)CC(C2=CC=C(C=C2)Cl)(C3=CC4=CC=CC=C4O3)O
InChI
InChI=1S/C22H17ClO2/c23-19-12-10-18(11-13-19)22(24,15-16-6-2-1-3-7-16)21-14-17-8-4-5-9-20(17)25-21/h1-14,24H,15H2
InChIKey
FAUXHPGIOILSKR-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.0917 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09898 182.6
[M+Na]+ 371.08092 192.1
[M-H]- 347.08442 192.9
[M+NH4]+ 366.12552 197.1
[M+K]+ 387.05486 185.5
[M+H-H2O]+ 331.08896 175.1
[M+HCOO]- 393.08990 199.1
[M+CH3COO]- 407.10555 194.2
[M+Na-2H]- 369.06637 188.6
[M]+ 348.09115 187.0
[M]- 348.09225 187.0
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

patents stripe