CID 514887

25935-30-2

Structural Information

Molecular Formula

C₁₁H₈Cl₂N₂O

SMILES

C1=CC(=C(C=C1OC2=NC=C(C=C2)N)Cl)Cl

InChI

InChI=1S/C11H8Cl2N2O/c12-9-3-2-8(5-10(9)13)16-11-4-1-7(14)6-15-11/h1-6H,14H2

InChIKey

VISQAAUSWBVTLK-UHFFFAOYSA-N

Compound name

6-(3,4-dichlorophenoxy)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 254.00137 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]+	255.00865	150.6
[M+Na]+	276.99059	161.5
[M-H]-	252.99409	155.3
[M+NH4]+	272.03519	167.4
[M+K]+	292.96453	155.3
[M+H-H2O]+	236.99863	144.2
[M+HCOO]-	298.99957	165.5
[M+CH3COO]-	313.01522	163.3
[M+Na-2H]-	274.97604	156.2
[M]+	254.00082	153.4
[M]-	254.00192	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe