CID 44426102

Chembl375235

Structural Information

Molecular Formula

C₁₁H₁₂ClNO

SMILES

CC(=O)N(C)/C=C/C1=CC=CC=C1Cl

InChI

InChI=1S/C11H12ClNO/c1-9(14)13(2)8-7-10-5-3-4-6-11(10)12/h3-8H,1-2H3/b8-7+

InChIKey

FHUIEYDGNLDXIG-BQYQJAHWSA-N

Compound name

N-[(E)-2-(2-chlorophenyl)ethenyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 209.06075 Da
Monoisotopic Mass: 2.4
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]+	210.06803	144.5
[M+Na]+	232.04997	152.6
[M-H]-	208.05347	149.5
[M+NH4]+	227.09457	164.8
[M+K]+	248.02391	149.2
[M+H-H2O]+	192.05801	139.2
[M+HCOO]-	254.05895	165.0
[M+CH3COO]-	268.07460	190.4
[M+Na-2H]-	230.03542	148.7
[M]+	209.06020	147.3
[M]-	209.06130	147.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.