PubChemLite - 518997-91-6 (C75H44)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)C7=CC8=C(C=C7)C9=C(C81C2=CC=CC=C2C2=CC=CC=C12)C=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

InChI

InChI=1S/C75H44/c1-9-25-61-49(17-1)50-18-2-10-26-62(50)73(61)65-29-13-7-23-55(65)57-37-33-45(41-69(57)73)47-35-39-59-60-40-36-48(44-72(60)75(71(59)43-47)67-31-15-5-21-53(67)54-22-6-16-32-68(54)75)46-34-38-58-56-24-8-14-30-66(56)74(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)74/h1-44H

InChIKey

BFDFHGPJXDFXBA-UHFFFAOYSA-N

Compound name

2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]

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]+	945.35158	283.6
[M+Na]+	967.33352	302.7
[M+NH4]+	962.37812	296.7
[M+K]+	983.30746	290.6
[M-H]-	943.33702	297.5
[M+Na-2H]-	965.31897	286.9
[M]+	944.34375	291.6
[M]-	944.34485	291.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

945.35158

283.6

[M+Na]+

967.33352

302.7

[M+NH4]+

962.37812

296.7

[M+K]+

983.30746

290.6

[M-H]-

943.33702

297.5

[M+Na-2H]-

965.31897

286.9

[M]+

944.34375

291.6

[M]-

944.34485

291.6

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

518997-91-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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