CID 72211577

1956369-49-5

Structural Information

Molecular Formula

C₆H₆Cl₂N₂

SMILES

C1=C(C=C(N=C1CN)Cl)Cl

InChI

InChI=1S/C6H6Cl2N2/c7-4-1-5(3-9)10-6(8)2-4/h1-2H,3,9H2

InChIKey

MLZPDLJHFHXQHI-UHFFFAOYSA-N

Compound name

(4,6-dichloro-2-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 175.9908 Da
Monoisotopic Mass: 1.3
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]+	176.998076	131.1
[M+Na]+	198.980018	141.8
[M-H]-	174.983524	132.6
[M+NH4]+	194.024623	151.1
[M+K]+	214.953958	136.8
[M+H-H2O]+	158.988060	126.6
[M+HCOO]-	220.989001	145.9
[M+CH3COO]-	235.004651	180.0
[M+Na-2H]-	196.965466	137.4
[M]+	175.99025142	132.2
[M]-	175.99134858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe