CID 2392259

65836-72-8

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

COC1=C(C=C(C=C1)CNC(=O)CCl)OC

InChI

InChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)

InChIKey

CETPWRGZGWGPSV-UHFFFAOYSA-N

Compound name

2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 243.06622 Da
Monoisotopic Mass: 1.2
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]+	244.07350	151.0
[M+Na]+	266.05544	159.3
[M-H]-	242.05894	154.8
[M+NH4]+	261.10004	169.5
[M+K]+	282.02938	156.4
[M+H-H2O]+	226.06348	145.6
[M+HCOO]-	288.06442	171.3
[M+CH3COO]-	302.08007	193.7
[M+Na-2H]-	264.04089	155.4
[M]+	243.06567	156.7
[M]-	243.06677	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe