CID 129948002

1227574-40-4

Structural Information

Molecular Formula

C₆H₄Br₂ClN

SMILES

C1=CN=C(C(=C1CBr)Cl)Br

InChI

InChI=1S/C6H4Br2ClN/c7-3-4-1-2-10-6(8)5(4)9/h1-2H,3H2

InChIKey

SREKIBMAAPCTHT-UHFFFAOYSA-N

Compound name

2-bromo-4-(bromomethyl)-3-chloropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.8399 Da
Monoisotopic Mass: 3.1
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]+	283.84718	130.8
[M+Na]+	305.82912	144.3
[M-H]-	281.83262	137.1
[M+NH4]+	300.87372	150.7
[M+K]+	321.80306	127.6
[M+H-H2O]+	265.83716	139.9
[M+HCOO]-	327.83810	143.8
[M+CH3COO]-	341.85375	199.8
[M+Na-2H]-	303.81457	139.8
[M]+	282.83935	166.3
[M]-	282.84045	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.