CID 198658

89998-97-0

Structural Information

Molecular Formula
C23H19ClO2
SMILES
CC1=C(OC2=CC=CC=C12)C(CC3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C23H19ClO2/c1-16-20-9-5-6-10-21(20)26-22(16)23(25,15-17-7-3-2-4-8-17)18-11-13-19(24)14-12-18/h2-14,25H,15H2,1H3
InChIKey
ISSOBDHACMMPPY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.10736 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11464 187.6
[M+Na]+ 385.09658 197.5
[M-H]- 361.10008 198.1
[M+NH4]+ 380.14118 201.8
[M+K]+ 401.07052 190.8
[M+H-H2O]+ 345.10462 180.1
[M+HCOO]- 407.10556 203.8
[M+CH3COO]- 421.12121 199.1
[M+Na-2H]- 383.08203 192.4
[M]+ 362.10681 192.8
[M]- 362.10791 192.8
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.