CID 43144205

2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole

Structural Information

Molecular Formula

C₁₁H₉Cl₂NO

SMILES

CC1=C(OC(=N1)CCl)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H9Cl2NO/c1-7-11(15-10(6-12)14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3

InChIKey

RDYSXEWAVCFZBK-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.00612 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]+	242.013396	149.5
[M+Na]+	263.995338	161.3
[M-H]-	239.998844	155.3
[M+NH4]+	259.039943	168.0
[M+K]+	279.969278	156.4
[M+H-H2O]+	224.003380	143.6
[M+HCOO]-	286.004321	163.5
[M+CH3COO]-	300.019971	163.2
[M+Na-2H]-	261.980786	153.6
[M]+	241.00557142	154.9
[M]-	241.00666858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.