CID 7000031

108998-83-0

Structural Information

Molecular Formula

C₂₀H₁₈O₂

SMILES

C1=CC=C(C=C1)[C@@H](C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O

InChI

InChI=1S/C20H18O2/c21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19,21-22H/t19-/m0/s1

InChIKey

GWVWUZJOQHWMFB-IBGZPJMESA-N

Compound name

(2S)-1,1,2-triphenylethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 438
Patents: 290.13068 Da
Monoisotopic Mass: 3.4
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]+	291.13796	170.6
[M+Na]+	313.11990	185.6
[M+NH4]+	308.16450	179.3
[M+K]+	329.09384	177.6
[M-H]-	289.12340	176.6
[M+Na-2H]-	311.10535	182.4
[M]+	290.13013	174.7
[M]-	290.13123	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe