PubChemLite - N-(4-(2',7'-ditert-butyl-9,9'-spirobi(fluorene)-2-yl)phenyl)-9,9-dimethyl-n-(2-phenylphenyl)fluoren-2-amine (C66H57N)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=C(C=CC(=C9)C(C)(C)C)C1=C8C=C(C=C1)C(C)(C)C)C1=CC=CC=C1C1=CC=CC=C1)C

InChI

InChI=1S/C66H57N/c1-63(2,3)45-29-35-54-55-36-30-46(64(4,5)6)40-61(55)66(60(54)39-45)57-24-16-13-22-51(57)53-34-28-44(38-59(53)66)42-26-31-47(32-27-42)67(62-25-17-14-20-49(62)43-18-10-9-11-19-43)48-33-37-52-50-21-12-15-23-56(50)65(7,8)58(52)41-48/h9-41H,1-8H3

InChIKey

PUXUGQSYBFWPAK-UHFFFAOYSA-N

Compound name

N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

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]+	864.45638	300.5
[M+Na]+	886.43832	303.4
[M-H]-	862.44182	319.4
[M+NH4]+	881.48292	303.9
[M+K]+	902.41226	294.5
[M+H-H2O]+	846.44636	280.7
[M+HCOO]-	908.44730	305.7
[M+CH3COO]-	922.46295	300.4
[M+Na-2H]-	884.42377	290.0
[M]+	863.44855	300.1
[M]-	863.44965	300.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

864.45638

300.5

[M+Na]+

886.43832

303.4

[M-H]-

862.44182

319.4

[M+NH4]+

881.48292

303.9

[M+K]+

902.41226

294.5

[M+H-H2O]+

846.44636

280.7

[M+HCOO]-

908.44730

305.7

[M+CH3COO]-

922.46295

300.4

[M+Na-2H]-

884.42377

290.0

[M]+

863.44855

300.1

[M]-

863.44965

300.1

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

N-(4-(2',7'-ditert-butyl-9,9'-spirobi(fluorene)-2-yl)phenyl)-9,9-dimethyl-n-(2-phenylphenyl)fluoren-2-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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