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

8
Annotation Hits: 612
References: 45598
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]+	270.125536	162.0
[M+Na]+	292.107478	169.3
[M-H]-	268.110984	166.8
[M+NH4]+	287.152083	180.2
[M+K]+	308.081418	166.5
[M+H-H2O]+	252.115520	156.1
[M+HCOO]-	314.116461	181.6
[M+CH3COO]-	328.132111	204.1
[M+Na-2H]-	290.092926	164.0
[M]+	269.11771142	168.6
[M]-	269.11880858	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe