PubChemLite - Tbrb (C58H60)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C4C=C(C=CC4=C(C3=C(C5=C2C=CC(=C5)C(C)(C)C)C6=CC=CC=C6)C7=CC=C(C=C7)C(C)(C)C)C(C)(C)C)C8=CC=CC=C8

InChI

InChI=1S/C58H60/c1-55(2,3)41-27-23-39(24-28-41)49-45-33-31-43(57(7,8)9)35-47(45)52(38-21-17-14-18-22-38)54-50(40-25-29-42(30-26-40)56(4,5)6)46-34-32-44(58(10,11)12)36-48(46)51(53(49)54)37-19-15-13-16-20-37/h13-36H,1-12H3

InChIKey

WFQFDAGQJUVDKP-UHFFFAOYSA-N

Compound name

2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene

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]+	757.47678	308.7
[M+Na]+	779.45872	330.4
[M+NH4]+	774.50332	317.0
[M+K]+	795.43266	314.4
[M-H]-	755.46222	322.4
[M+Na-2H]-	777.44417	320.7
[M]+	756.46895	317.1
[M]-	756.47005	317.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

757.47678

308.7

[M+Na]+

779.45872

330.4

[M+NH4]+

774.50332

317.0

[M+K]+

795.43266

314.4

[M-H]-

755.46222

322.4

[M+Na-2H]-

777.44417

320.7

[M]+

756.46895

317.1

[M]-

756.47005

317.1

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

Tbrb

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe