CID 85589070

2,3-dibromo-5,6-dichloropyridine

Structural Information

Molecular Formula

C₅HBr₂Cl₂N

SMILES

C1=C(C(=NC(=C1Br)Br)Cl)Cl

InChI

InChI=1S/C5HBr2Cl2N/c6-2-1-3(8)5(9)10-4(2)7/h1H

InChIKey

WKOPVADJJWMOMZ-UHFFFAOYSA-N

Compound name

2,3-dibromo-5,6-dichloropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.78528 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

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]+	303.79256	130.5
[M+Na]+	325.77450	145.6
[M-H]-	301.77800	136.6
[M+NH4]+	320.81910	150.3
[M+K]+	341.74844	127.8
[M+H-H2O]+	285.78254	140.1
[M+HCOO]-	347.78348	139.6
[M+CH3COO]-	361.79913	201.9
[M+Na-2H]-	323.75995	138.9
[M]+	302.78473	166.1
[M]-	302.78583	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.