CID 23551889

368426-79-3

Structural Information

Molecular Formula

C₇H₄BrClN₂

SMILES

C1=CC(=C(N=C1CBr)Cl)C#N

InChI

InChI=1S/C7H4BrClN2/c8-3-6-2-1-5(4-10)7(9)11-6/h1-2H,3H2

InChIKey

RLTMHUZDLSFWBJ-UHFFFAOYSA-N

Compound name

6-(bromomethyl)-2-chloropyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 229.92464 Da
Monoisotopic Mass: 2.1
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]+	230.93192	131.3
[M+Na]+	252.91386	147.1
[M-H]-	228.91736	134.9
[M+NH4]+	247.95846	150.8
[M+K]+	268.88780	134.1
[M+H-H2O]+	212.92190	125.2
[M+HCOO]-	274.92284	147.6
[M+CH3COO]-	288.93849	197.1
[M+Na-2H]-	250.89931	139.6
[M]+	229.92409	145.1
[M]-	229.92519	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe