CID 707446

3,6-dichloro-2-methoxy-n-propan-2-ylbenzamide

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO₂

SMILES

CC(C)NC(=O)C1=C(C=CC(=C1OC)Cl)Cl

InChI

InChI=1S/C11H13Cl2NO2/c1-6(2)14-11(15)9-7(12)4-5-8(13)10(9)16-3/h4-6H,1-3H3,(H,14,15)

InChIKey

SQYLWPGMNWVPNL-UHFFFAOYSA-N

Compound name

3,6-dichloro-2-methoxy-N-propan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 261.03235 Da
Monoisotopic Mass: 2.8
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]+	262.039626	153.2
[M+Na]+	284.021568	162.6
[M-H]-	260.025074	156.8
[M+NH4]+	279.066173	171.6
[M+K]+	299.995508	158.1
[M+H-H2O]+	244.029610	149.3
[M+HCOO]-	306.030551	167.3
[M+CH3COO]-	320.046201	198.2
[M+Na-2H]-	282.007016	154.9
[M]+	261.03180142	158.3
[M]-	261.03289858	158.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.