CID 83895307

1427852-06-9

Structural Information

Molecular Formula

C₆H₃BrClN₃

SMILES

C1=CC2=NN=C(N2C=C1Cl)Br

InChI

InChI=1S/C6H3BrClN3/c7-6-10-9-5-2-1-4(8)3-11(5)6/h1-3H

InChIKey

FPJNKKHOUBZUNQ-UHFFFAOYSA-N

Compound name

3-bromo-6-chloro-[1,2,4]triazolo[4,3-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.91989 Da
Monoisotopic Mass: 2.8
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]+	231.92717	140.2
[M+Na]+	253.90911	146.4
[M+NH4]+	248.95371	145.6
[M+K]+	269.88305	146.5
[M-H]-	229.91261	140.0
[M+Na-2H]-	251.89456	144.5
[M]+	230.91934	140.1
[M]-	230.92044	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.