CID 3613658

832076-92-3

Structural Information

Molecular Formula

C₁₁H₉Cl₂NO

SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)CCl

InChI

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

InChIKey

UZZOBOWGDDNXRM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 76
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]+	242.01340	148.3
[M+Na]+	263.99534	164.9
[M+NH4]+	259.03994	157.8
[M+K]+	279.96928	158.1
[M-H]-	239.99884	153.4
[M+Na-2H]-	261.98079	156.7
[M]+	241.00557	152.9
[M]-	241.00667	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe