CID 3078708

122135-80-2

Structural Information

Molecular Formula

C₂₂H₂₂O₂

SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(C3=CC=CC=C3)O)O

InChI

InChI=1S/C22H22O2/c1-16-8-12-19(13-9-16)22(24,20-14-10-17(2)11-15-20)21(23)18-6-4-3-5-7-18/h3-15,21,23-24H,1-2H3

InChIKey

DJENFIFQSSNDSL-UHFFFAOYSA-N

Compound name

1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 318.162 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]+	319.169276	176.9
[M+Na]+	341.151218	182.2
[M-H]-	317.154724	183.8
[M+NH4]+	336.195823	189.3
[M+K]+	357.125158	176.5
[M+H-H2O]+	301.159260	168.6
[M+HCOO]-	363.160201	194.6
[M+CH3COO]-	377.175851	204.6
[M+Na-2H]-	339.136666	180.4
[M]+	318.16145142	174.9
[M]-	318.16254858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.