CID 1484767

339019-69-1

Structural Information

Molecular Formula

C₁₀H₇Cl₂NO

SMILES

C1=CC=C(C(=C1)C2=CC(=NO2)CCl)Cl

InChI

InChI=1S/C10H7Cl2NO/c11-6-7-5-10(14-13-7)8-3-1-2-4-9(8)12/h1-5H,6H2

InChIKey

UKBHBRICCXLWJZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 226.99046 Da
Monoisotopic Mass: 3.1
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]+	227.99774	145.0
[M+Na]+	249.97968	156.2
[M-H]-	225.98318	150.5
[M+NH4]+	245.02428	163.6
[M+K]+	265.95362	151.6
[M+H-H2O]+	209.98772	138.9
[M+HCOO]-	271.98866	159.3
[M+CH3COO]-	286.00431	158.7
[M+Na-2H]-	247.96513	150.3
[M]+	226.98991	149.6
[M]-	226.99101	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe