PubChemLite - 10,10',10''-cyclopropanetriylidenetris(9(10h)-anthracenone) (C45H24O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=C3C(=C4C5=CC=CC=C5C(=O)C6=CC=CC=C64)C3=C7C8=CC=CC=C8C(=O)C9=CC=CC=C97)C1=CC=CC=C1C2=O

InChI

InChI=1S/C45H24O3/c46-43-31-19-7-1-13-25(31)37(26-14-2-8-20-32(26)43)40-41(38-27-15-3-9-21-33(27)44(47)34-22-10-4-16-28(34)38)42(40)39-29-17-5-11-23-35(29)45(48)36-24-12-6-18-30(36)39/h1-24H

InChIKey

ZBZCJIWUIBPLED-UHFFFAOYSA-N

Compound name

10-[2,3-bis(10-oxoanthracen-9-ylidene)cyclopropylidene]anthracen-9-one

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]+	613.17983	244.9
[M+Na]+	635.16177	252.0
[M-H]-	611.16527	257.6
[M+NH4]+	630.20637	245.3
[M+K]+	651.13571	241.8
[M+H-H2O]+	595.16981	227.4
[M+HCOO]-	657.17075	251.6
[M+CH3COO]-	671.18640	247.7
[M+Na-2H]-	633.14722	242.8
[M]+	612.17200	240.2
[M]-	612.17310	240.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

613.17983

244.9

[M+Na]+

635.16177

252.0

[M-H]-

611.16527

257.6

[M+NH4]+

630.20637

245.3

[M+K]+

651.13571

241.8

[M+H-H2O]+

595.16981

227.4

[M+HCOO]-

657.17075

251.6

[M+CH3COO]-

671.18640

247.7

[M+Na-2H]-

633.14722

242.8

[M]+

612.17200

240.2

[M]-

612.17310

240.2

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

10,10',10''-cyclopropanetriylidenetris(9(10h)-anthracenone)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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