CID 1988

Acetochlor

Structural Information

Molecular Formula

C₁₄H₂₀ClNO₂

SMILES

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

InChI

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

InChIKey

VTNQPKFIQCLBDU-UHFFFAOYSA-N

Compound name

2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 381
References: 34964
Patents: 269.11826 Da
Monoisotopic Mass: 3.2
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]+	270.12554	162.0
[M+Na]+	292.10748	169.3
[M-H]-	268.11098	166.8
[M+NH4]+	287.15208	180.2
[M+K]+	308.08142	166.5
[M+H-H2O]+	252.11552	156.1
[M+HCOO]-	314.11646	181.6
[M+CH3COO]-	328.13211	204.1
[M+Na-2H]-	290.09293	164.0
[M]+	269.11771	168.6
[M]-	269.11881	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe