CID 3073018

Brn 5818152

Structural Information

Molecular Formula

C₁₁H₈Cl₂N₂O₂

SMILES

CC1=CC(=NO1)C(=O)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C11H8Cl2N2O2/c1-6-5-9(15-17-6)11(16)14-10-7(12)3-2-4-8(10)13/h2-5H,1H3,(H,14,16)

InChIKey

VSEACZCDIFRYMJ-UHFFFAOYSA-N

Compound name

N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 269.99628 Da
Monoisotopic Mass: 3.2
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]+	271.003556	157.1
[M+Na]+	292.985498	167.9
[M-H]-	268.989004	163.2
[M+NH4]+	288.030103	173.9
[M+K]+	308.959438	163.4
[M+H-H2O]+	252.993540	151.0
[M+HCOO]-	314.994481	171.7
[M+CH3COO]-	329.010131	195.6
[M+Na-2H]-	290.970946	160.5
[M]+	269.99573142	162.0
[M]-	269.99682858	162.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.