CID 32321

Delachlor

Structural Information

Molecular Formula

C₁₅H₂₂ClNO₂

SMILES

CC1=C(C(=CC=C1)C)N(COCC(C)C)C(=O)CCl

InChI

InChI=1S/C15H22ClNO2/c1-11(2)9-19-10-17(14(18)8-16)15-12(3)6-5-7-13(15)4/h5-7,11H,8-10H2,1-4H3

InChIKey

BIQOEDQVNIYWPQ-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,6-dimethylphenyl)-N-(2-methylpropoxymethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5341
Patents: 283.1339 Da
Monoisotopic Mass: 3.7
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