PubChemLite - 1,1'-bis(2,4-dinitrophenyl)-4,4'-bipyridinium dichloride (C22H14N6O8)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14N6O8/c29-25(30)17-1-3-19(21(13-17)27(33)34)23-9-5-15(6-10-23)16-7-11-24(12-8-16)20-4-2-18(26(31)32)14-22(20)28(35)36/h1-14H/q+2

InChIKey

UVCIVGWTJICGFA-UHFFFAOYSA-N

Compound name

1-(2,4-dinitrophenyl)-4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]pyridin-1-ium

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]+	491.09458	212.3
[M+Na]+	513.07652	213.0
[M-H]-	489.08002	212.3
[M+NH4]+	508.12112	213.0
[M+K]+	529.05046	214.2
[M+H-H2O]+	473.08456	212.8
[M+HCOO]-	535.08550	214.7
[M+CH3COO]-	549.10115	211.3
[M+Na-2H]-	511.06197	216.9
[M]+	490.08675	213.1
[M]-	490.08785	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.09458

212.3

[M+Na]+

513.07652

213.0

[M-H]-

489.08002

212.3

[M+NH4]+

508.12112

213.0

[M+K]+

529.05046

214.2

[M+H-H2O]+

473.08456

212.8

[M+HCOO]-

535.08550

214.7

[M+CH3COO]-

549.10115

211.3

[M+Na-2H]-

511.06197

216.9

[M]+

490.08675

213.1

[M]-

490.08785

213.1

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

1,1'-bis(2,4-dinitrophenyl)-4,4'-bipyridinium dichloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe