PubChemLite - 13473-26-2 (C20H4Br4Cl4O5)

Structural Information

Molecular Formula

SMILES

C1=C2C(=C(C(=C1Br)O)Br)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)Br)O)Br

InChI

InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26/h1-2,29-30H

InChIKey

ZYIBVBKZZZDFOY-UHFFFAOYSA-N

Compound name

2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-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]+	780.56188	186.8
[M+Na]+	802.54382	182.8
[M+NH4]+	797.58842	187.4
[M+K]+	818.51776	186.7
[M-H]-	778.54732	188.4
[M+Na-2H]-	800.52927	186.0
[M]+	779.55405	187.2
[M]-	779.55515	187.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

780.56188

186.8

[M+Na]+

802.54382

182.8

[M+NH4]+

797.58842

187.4

[M+K]+

818.51776

186.7

[M-H]-

778.54732

188.4

[M+Na-2H]-

800.52927

186.0

[M]+

779.55405

187.2

[M]-

779.55515

187.2

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

13473-26-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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