CID 54385084

6-amino-3-bromo-2-chlorobenzonitrile

Structural Information

Molecular Formula

C₇H₄BrClN₂

SMILES

C1=CC(=C(C(=C1N)C#N)Cl)Br

InChI

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

InChIKey

VCQUJWHUIPJFDH-UHFFFAOYSA-N

Compound name

6-amino-3-bromo-2-chlorobenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 229.92464 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]+	230.93192	138.5
[M+Na]+	252.91386	143.5
[M+NH4]+	247.95846	141.4
[M+K]+	268.88780	139.6
[M-H]-	228.91736	134.0
[M+Na-2H]-	250.89931	140.7
[M]+	229.92409	136.5
[M]-	229.92519	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe