CID 619436

4402-83-9

Structural Information

Molecular Formula

C₁₂H₉Cl₂NO₃

SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)OC

InChI

InChI=1S/C12H9Cl2NO3/c1-6-9(12(16)17-2)11(15-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3

InChIKey

YPCASVCAZYPZOI-UHFFFAOYSA-N

Compound name

methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 284.99594 Da
Monoisotopic Mass: 3.5
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]+	286.00322	157.5
[M+Na]+	307.98516	172.9
[M+NH4]+	303.02976	165.4
[M+K]+	323.95910	168.0
[M-H]-	283.98866	161.2
[M+Na-2H]-	305.97061	164.1
[M]+	284.99539	161.4
[M]-	284.99649	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe