PubChemLite - Einecs 275-200-6 (C49H52O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)(C)C3=CC=CC=C3)O)CC4=C(C(=CC(=C4)C(C)(C)C5=CC=CC=C5)C(C)(C)C6=CC=CC=C6)O

InChI

InChI=1S/C49H52O2/c1-46(2,36-21-13-9-14-22-36)40-30-34(44(50)42(32-40)48(5,6)38-25-17-11-18-26-38)29-35-31-41(47(3,4)37-23-15-10-16-24-37)33-43(45(35)51)49(7,8)39-27-19-12-20-28-39/h9-28,30-33,50-51H,29H2,1-8H3

InChIKey

BDZGHYNUCXZCMQ-UHFFFAOYSA-N

Compound name

2-[[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]methyl]-4,6-bis(2-phenylpropan-2-yl)phenol

Related CIDs

2D Structure

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]+	673.40398	268.5
[M+Na]+	695.38592	268.7
[M-H]-	671.38942	281.3
[M+NH4]+	690.43052	264.8
[M+K]+	711.35986	261.4
[M+H-H2O]+	655.39396	253.3
[M+HCOO]-	717.39490	274.9
[M+CH3COO]-	731.41055	274.4
[M+Na-2H]-	693.37137	267.1
[M]+	672.39615	266.2
[M]-	672.39725	266.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

673.40398

268.5

[M+Na]+

695.38592

268.7

[M-H]-

671.38942

281.3

[M+NH4]+

690.43052

264.8

[M+K]+

711.35986

261.4

[M+H-H2O]+

655.39396

253.3

[M+HCOO]-

717.39490

274.9

[M+CH3COO]-

731.41055

274.4

[M+Na-2H]-

693.37137

267.1

[M]+

672.39615

266.2

[M]-

672.39725

266.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Einecs 275-200-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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