PubChemLite - 682806-51-5 (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	302.8
[M+Na]+	779.45872	305.5
[M-H]-	755.46222	316.4
[M+NH4]+	774.50332	300.1
[M+K]+	795.43266	297.1
[M+H-H2O]+	739.46676	283.6
[M+HCOO]-	801.46770	305.9
[M+CH3COO]-	815.48335	302.7
[M+Na-2H]-	777.44417	299.2
[M]+	756.46895	302.9
[M]-	756.47005	302.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

757.47678

302.8

[M+Na]+

779.45872

305.5

[M-H]-

755.46222

316.4

[M+NH4]+

774.50332

300.1

[M+K]+

795.43266

297.1

[M+H-H2O]+

739.46676

283.6

[M+HCOO]-

801.46770

305.9

[M+CH3COO]-

815.48335

302.7

[M+Na-2H]-

777.44417

299.2

[M]+

756.46895

302.9

[M]-

756.47005

302.9

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

682806-51-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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