CID 12144568

5-bromo-2-(5-bromothiophen-2-yl)pyridine

Structural Information

Molecular Formula

C₉H₅Br₂NS

SMILES

C1=CC(=NC=C1Br)C2=CC=C(S2)Br

InChI

InChI=1S/C9H5Br2NS/c10-6-1-2-7(12-5-6)8-3-4-9(11)13-8/h1-5H

InChIKey

AZBHJODALOVOSN-UHFFFAOYSA-N

Compound name

5-bromo-2-(5-bromothiophen-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 316.85095 Da
Monoisotopic Mass: 3.9
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]+	317.85823	140.9
[M+Na]+	339.84017	137.0
[M+NH4]+	334.88477	143.9
[M+K]+	355.81411	143.0
[M-H]-	315.84367	142.9
[M+Na-2H]-	337.82562	144.2
[M]+	316.85040	140.1
[M]-	316.85150	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe