PubChemLite - 2,2-dioxo-1,3-bis[(2,3,4,5-tetrachlorophenyl)methyl]-2$l^{6},1,3-benzothiadiazin-4-one (C21H10Cl8N2O3S)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=O)N(S(=O)(=O)N2CC3=CC(=C(C(=C3Cl)Cl)Cl)Cl)CC4=CC(=C(C(=C4Cl)Cl)Cl)Cl

InChI

InChI=1S/C21H10Cl8N2O3S/c22-12-5-9(15(24)19(28)17(12)26)7-30-14-4-2-1-3-11(14)21(32)31(35(30,33)34)8-10-6-13(23)18(27)20(29)16(10)25/h1-6H,7-8H2

InChIKey

XDFIUXGAQKKXRP-UHFFFAOYSA-N

Compound name

2,2-dioxo-1,3-bis[(2,3,4,5-tetrachlorophenyl)methyl]-2lambda6,1,3-benzothiadiazin-4-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]+	650.79933	220.5
[M+Na]+	672.78127	226.7
[M-H]-	648.78477	216.1
[M+NH4]+	667.82587	222.1
[M+K]+	688.75521	227.5
[M+H-H2O]+	632.78931	214.4
[M+HCOO]-	694.79025	196.6
[M+CH3COO]-	708.80590	220.1
[M+Na-2H]-	670.76672	210.2
[M]+	649.79150	216.6
[M]-	649.79260	216.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

650.79933

220.5

[M+Na]+

672.78127

226.7

[M-H]-

648.78477

216.1

[M+NH4]+

667.82587

222.1

[M+K]+

688.75521

227.5

[M+H-H2O]+

632.78931

214.4

[M+HCOO]-

694.79025

196.6

[M+CH3COO]-

708.80590

220.1

[M+Na-2H]-

670.76672

210.2

[M]+

649.79150

216.6

[M]-

649.79260

216.6

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

2,2-dioxo-1,3-bis[(2,3,4,5-tetrachlorophenyl)methyl]-2$l^{6},1,3-benzothiadiazin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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