CID 18992806

2-amino-4,6-dichlorobenzonitrile

Structural Information

Molecular Formula

C₇H₄Cl₂N₂

SMILES

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

InChI

InChI=1S/C7H4Cl2N2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-2H,11H2

InChIKey

GZAHHXLOLGSNND-UHFFFAOYSA-N

Compound name

2-amino-4,6-dichlorobenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 185.97516 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]+	186.98244	131.6
[M+Na]+	208.96438	145.5
[M+NH4]+	204.00898	137.7
[M+K]+	224.93832	135.5
[M-H]-	184.96788	127.6
[M+Na-2H]-	206.94983	136.8
[M]+	185.97461	132.2
[M]-	185.97571	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe