CID 4738271

2-bromo-5-iodopyridine

Structural Information

Molecular Formula

SMILES

C1=CC(=NC=C1I)Br

InChI

InChI=1S/C5H3BrIN/c6-5-2-1-4(7)3-8-5/h1-3H

InChIKey

LLKRSJVPTKFSLS-UHFFFAOYSA-N

Compound name

2-bromo-5-iodopyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 907
Patents: 282.84937 Da
Monoisotopic Mass: 2.5
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]+	283.85665	130.5
[M+Na]+	305.83859	136.5
[M-H]-	281.84209	129.2
[M+NH4]+	300.88319	148.3
[M+K]+	321.81253	132.2
[M+H-H2O]+	265.84663	127.3
[M+HCOO]-	327.84757	147.6
[M+CH3COO]-	341.86322	185.4
[M+Na-2H]-	303.82404	129.4
[M]+	282.84882	145.2
[M]-	282.84992	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe