CID 1556893

2176-63-8

Structural Information

Molecular Formula

C₅H₂Cl₄N₂

SMILES

C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)N

InChI

InChI=1S/C5H2Cl4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)

InChIKey

CPLQYBDXWJHBST-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrachloropyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 229.8972 Da
Monoisotopic Mass: 3.3
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]+	230.90448	140.5
[M+Na]+	252.88642	152.2
[M-H]-	228.88992	139.6
[M+NH4]+	247.93102	157.9
[M+K]+	268.86036	146.4
[M+H-H2O]+	212.89446	137.5
[M+HCOO]-	274.89540	144.1
[M+CH3COO]-	288.91105	191.1
[M+Na-2H]-	250.87187	143.0
[M]+	229.89665	140.7
[M]-	229.89775	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe