CID 19875161

Schembl9171254

Structural Information

Molecular Formula
C21H20O3
SMILES
CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20O3/c1-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24-2)14-8-17/h3-14,22-23H,1-2H3
InChIKey
YROADXSDGLNICS-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

320.14124 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14852 176.3
[M+Na]+ 343.13046 183.1
[M-H]- 319.13396 183.7
[M+NH4]+ 338.17506 188.9
[M+K]+ 359.10440 177.9
[M+H-H2O]+ 303.13850 167.9
[M+HCOO]- 365.13944 195.5
[M+CH3COO]- 379.15509 204.1
[M+Na-2H]- 341.11591 180.8
[M]+ 320.14069 176.3
[M]- 320.14179 176.3
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