CID 2078

Alachlor

Structural Information

Molecular Formula

C₁₄H₂₀ClNO₂

SMILES

CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl

InChI

InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3

InChIKey

XCSGPAVHZFQHGE-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 611
References: 38054
Patents: 269.11826 Da
Monoisotopic Mass: 3.5
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]+	270.12554	161.3
[M+Na]+	292.10748	173.5
[M+NH4]+	287.15208	169.2
[M+K]+	308.08142	166.4
[M-H]-	268.11098	163.7
[M+Na-2H]-	290.09293	167.0
[M]+	269.11771	163.9
[M]-	269.11881	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe