CID 817093

2,4-dibromo-3-chloropyridine

Structural Information

Molecular Formula

C₅H₂Br₂ClN

SMILES

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

InChI

InChI=1S/C5H2Br2ClN/c6-3-1-2-9-5(7)4(3)8/h1-2H

InChIKey

WCARRWYHMKUGRY-UHFFFAOYSA-N

Compound name

2,4-dibromo-3-chloropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 268.82425 Da
Monoisotopic Mass: 3.2
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]+	269.83153	126.6
[M+Na]+	291.81347	140.5
[M-H]-	267.81697	133.0
[M+NH4]+	286.85807	147.0
[M+K]+	307.78741	124.0
[M+H-H2O]+	251.82151	135.9
[M+HCOO]-	313.82245	139.9
[M+CH3COO]-	327.83810	197.5
[M+Na-2H]-	289.79892	136.1
[M]+	268.82370	161.9
[M]-	268.82480	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe