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

4
Annotation Hits: 4
References: 23556
Patents: 306.12558 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.13286	171.8
[M+Na]+	329.11480	178.6
[M-H]-	305.11830	178.0
[M+NH4]+	324.15940	184.3
[M+K]+	345.08874	172.8
[M+H-H2O]+	289.12284	164.0
[M+HCOO]-	351.12378	189.8
[M+CH3COO]-	365.13943	198.9
[M+Na-2H]-	327.10025	176.4
[M]+	306.12503	169.7
[M]-	306.12613	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe