CID 93118

1,1,1-tris(4-hydroxyphenyl)ethane

Structural Information

Molecular Formula
C20H18O3
SMILES
CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3
InChIKey
BRPSWMCDEYMRPE-UHFFFAOYSA-N
Compound name
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

22539
Patents

306.12558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13286 173.8
[M+Na]+ 329.11480 189.2
[M+NH4]+ 324.15940 181.7
[M+K]+ 345.08874 181.8
[M-H]- 305.11830 179.2
[M+Na-2H]- 327.10025 184.2
[M]+ 306.12503 177.8
[M]- 306.12613 177.8
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