CID 634278

110726-28-8

Structural Information

Molecular Formula
C29H28O3
SMILES
CC(C)(C1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C29H28O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24/h4-19,30-32H,1-3H3
InChIKey
WXYSZTISEJBRHW-UHFFFAOYSA-N
Compound name
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6822
Patents

424.20386 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.21114 209.6
[M+Na]+ 447.19308 225.8
[M+NH4]+ 442.23768 216.8
[M+K]+ 463.16702 217.3
[M-H]- 423.19658 217.0
[M+Na-2H]- 445.17853 221.3
[M]+ 424.20331 214.5
[M]- 424.20441 214.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe