CID 139739

14321-05-2

Structural Information

Molecular Formula

C₆H₃Cl₅N₂

SMILES

C1=C(C(=C(C(=N1)C(Cl)(Cl)Cl)Cl)N)Cl

InChI

InChI=1S/C6H3Cl5N2/c7-2-1-13-5(6(9,10)11)3(8)4(2)12/h1H,(H2,12,13)

InChIKey

WEYZLTAYNCBWFI-UHFFFAOYSA-N

Compound name

3,5-dichloro-2-(trichloromethyl)pyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 7
Patents: 277.8739 Da
Monoisotopic Mass: 3.1
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]+	278.88118	155.3
[M+Na]+	300.86312	164.8
[M-H]-	276.86662	152.3
[M+NH4]+	295.90772	169.7
[M+K]+	316.83706	159.5
[M+H-H2O]+	260.87116	152.1
[M+HCOO]-	322.87210	151.4
[M+CH3COO]-	336.88775	199.0
[M+Na-2H]-	298.84857	156.4
[M]+	277.87335	153.0
[M]-	277.87445	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe