CID 3041216

P-1902

Structural Information

Molecular Formula

C₁₂H₁₃Cl₂NO₂

SMILES

CC1(COC(=N1)COC2=C(C=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C12H13Cl2NO2/c1-12(2)7-17-11(15-12)6-16-10-4-3-8(13)5-9(10)14/h3-5H,6-7H2,1-2H3

InChIKey

PVPOGZXBQSKMAC-UHFFFAOYSA-N

Compound name

2-[(2,4-dichlorophenoxy)methyl]-4,4-dimethyl-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.03235 Da
Monoisotopic Mass: 3.3
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]+	274.039626	155.7
[M+Na]+	296.021568	166.8
[M-H]-	272.025074	161.5
[M+NH4]+	291.066173	174.7
[M+K]+	311.995508	162.6
[M+H-H2O]+	256.029610	150.2
[M+HCOO]-	318.030551	168.4
[M+CH3COO]-	332.046201	194.1
[M+Na-2H]-	294.007016	159.8
[M]+	273.03180142	161.6
[M]-	273.03289858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.