CID 182245

Fluroxypyr-2-methoxy

Structural Information

Molecular Formula

C₆H₅Cl₂FN₂O

SMILES

COC1=NC(=C(C(=C1Cl)N)Cl)F

InChI

InChI=1S/C6H5Cl2FN2O/c1-12-6-3(8)4(10)2(7)5(9)11-6/h1H3,(H2,10,11)

InChIKey

XBFLRBRESHZOLD-UHFFFAOYSA-N

Compound name

3,5-dichloro-2-fluoro-6-methoxypyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 3
Patents: 209.9763 Da
Monoisotopic Mass: 2.2
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]+	210.983576	135.2
[M+Na]+	232.965518	147.7
[M-H]-	208.969024	136.1
[M+NH4]+	228.010123	154.3
[M+K]+	248.939458	142.8
[M+H-H2O]+	192.973560	130.1
[M+HCOO]-	254.974501	149.2
[M+CH3COO]-	268.990151	187.0
[M+Na-2H]-	230.950966	139.6
[M]+	209.97575142	137.4
[M]-	209.97684858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe