CID 55790

Pyrifenox

Structural Information

Molecular Formula

C₁₄H₁₂Cl₂N₂O

SMILES

CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3

InChIKey

CKPCAYZTYMHQEX-UHFFFAOYSA-N

Compound name

1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 29107
Patents: 294.03265 Da
Monoisotopic Mass: 2.5
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]+	295.03993	163.5
[M+Na]+	317.02187	179.8
[M+NH4]+	312.06647	172.5
[M+K]+	332.99581	170.3
[M-H]-	293.02537	168.4
[M+Na-2H]-	315.00732	173.5
[M]+	294.03210	167.9
[M]-	294.03320	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe