CID 16560

Chloranocryl

Structural Information

Molecular Formula

C₁₀H₉Cl₂NO

SMILES

CC(=C)C(=O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H9Cl2NO/c1-6(2)10(14)13-7-3-4-8(11)9(12)5-7/h3-5H,1H2,2H3,(H,13,14)

InChIKey

VCBRBUKGTWLJOB-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)-2-methylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6201
Patents: 229.00612 Da
Monoisotopic Mass: 4.2
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]+	230.01340	145.5
[M+Na]+	251.99534	154.8
[M-H]-	227.99884	148.9
[M+NH4]+	247.03994	164.9
[M+K]+	267.96928	149.3
[M+H-H2O]+	212.00338	141.8
[M+HCOO]-	274.00432	159.8
[M+CH3COO]-	288.01997	191.2
[M+Na-2H]-	249.98079	148.4
[M]+	229.00557	147.7
[M]-	229.00667	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe