PubChemLite - Diindeno[1,2,3-cd:1',2',3'-lm]perylene (C32H16)

Structural Information

Molecular Formula

SMILES

C1=CC2=C3C=CC4=C5C=CC6=C7C=CC=CC7=C8C6=C5C(=C9C4=C3C(=C2C=C1)C=C9)C=C8

InChI

InChI=1S/C32H16/c1-2-6-18-17(5-1)21-9-13-25-27-15-11-23-19-7-3-4-8-20(19)24-12-16-28(32(27)30(23)24)26-14-10-22(18)29(21)31(25)26/h1-16H

InChIKey

BKMIWBZIQAAZBD-UHFFFAOYSA-N

Compound name

nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene

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]+	401.13248	196.2
[M+Na]+	423.11442	221.9
[M+NH4]+	418.15902	211.0
[M+K]+	439.08836	209.3
[M-H]-	399.11792	205.6
[M+Na-2H]-	421.09987	204.4
[M]+	400.12465	203.8
[M]-	400.12575	203.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

401.13248

196.2

[M+Na]+

423.11442

221.9

[M+NH4]+

418.15902

211.0

[M+K]+

439.08836

209.3

[M-H]-

399.11792

205.6

[M+Na-2H]-

421.09987

204.4

[M]+

400.12465

203.8

[M]-

400.12575

203.8

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

Diindeno[1,2,3-cd:1',2',3'-lm]perylene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe