CID 264259

Nsc99266

Structural Information

Molecular Formula

C₂₆H₂₂O₂

SMILES

CC1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C2(C5=CC=C(C=C5)C)O)O

InChI

InChI=1S/C26H22O2/c1-17-9-13-20(14-10-17)25(27)22-7-3-5-19-6-4-8-23(24(19)22)26(25,28)21-15-11-18(2)12-16-21/h3-16,27-28H,1-2H3

InChIKey

HBACSMCHIMYSID-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 366.162 Da
Monoisotopic Mass: 4.9
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]+	367.169276	191.5
[M+Na]+	389.151218	201.5
[M-H]-	365.154724	200.9
[M+NH4]+	384.195823	210.6
[M+K]+	405.125158	193.5
[M+H-H2O]+	349.159260	182.4
[M+HCOO]-	411.160201	209.1
[M+CH3COO]-	425.175851	202.1
[M+Na-2H]-	387.136666	195.2
[M]+	366.16145142	192.5
[M]-	366.16254858	192.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.