CID 4169

Metolachlor

Structural Information

Molecular Formula

C₁₅H₂₂ClNO₂

SMILES

CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C

InChI

InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3

InChIKey

WVQBLGZPHOPPFO-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 720
References: 39155
Patents: 283.1339 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]+	284.14118	166.4
[M+Na]+	306.12312	173.0
[M-H]-	282.12662	171.1
[M+NH4]+	301.16772	183.9
[M+K]+	322.09706	170.4
[M+H-H2O]+	266.13116	160.4
[M+HCOO]-	328.13210	184.7
[M+CH3COO]-	342.14775	207.9
[M+Na-2H]-	304.10857	166.7
[M]+	283.13335	172.8
[M]-	283.13445	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe