CID 623849

1571-75-1

Structural Information

Molecular Formula
C20H18O2
SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3
InChIKey
VOWWYDCFAISREI-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

20517
Patents

290.13068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13796 168.3
[M+Na]+ 313.11990 174.9
[M-H]- 289.12340 175.5
[M+NH4]+ 308.16450 182.0
[M+K]+ 329.09384 169.0
[M+H-H2O]+ 273.12794 160.3
[M+HCOO]- 335.12888 187.7
[M+CH3COO]- 349.14453 197.9
[M+Na-2H]- 311.10535 174.0
[M]+ 290.13013 166.2
[M]- 290.13123 166.2
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.