PubChemLite - 156028-26-1 (C24H4Cl4O6)

Structural Information

Molecular Formula

SMILES

C1=C2C3=C4C(=C1Cl)C5=C(C=C6C7=C5C(=C(C=C7C(=O)OC6=O)Cl)C4=C(C=C3C(=O)OC2=O)Cl)Cl

InChI

InChI=1S/C24H4Cl4O6/c25-9-1-5-13-6(22(30)33-21(5)29)2-11(27)17-18-12(28)4-8-14-7(23(31)34-24(8)32)3-10(26)16(20(14)18)15(9)19(13)17/h1-4H

InChIKey

YGRXZLAMYLGXMF-UHFFFAOYSA-N

Compound name

11,14,22,26-tetrachloro-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

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]+	528.88348	210.8
[M+Na]+	550.86542	232.4
[M+NH4]+	545.91002	220.2
[M+K]+	566.83936	220.8
[M-H]-	526.86892	216.6
[M+Na-2H]-	548.85087	211.7
[M]+	527.87565	217.3
[M]-	527.87675	217.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

528.88348

210.8

[M+Na]+

550.86542

232.4

[M+NH4]+

545.91002

220.2

[M+K]+

566.83936

220.8

[M-H]-

526.86892

216.6

[M+Na-2H]-

548.85087

211.7

[M]+

527.87565

217.3

[M]-

527.87675

217.3

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

156028-26-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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