CID 145711936

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

Structural Information

Molecular Formula

C₄H₃Cl₂NO

SMILES

C1=C(ON=C1CCl)Cl

InChI

InChI=1S/C4H3Cl2NO/c5-2-3-1-4(6)8-7-3/h1H,2H2

InChIKey

ZMSQQPMBZNWQQN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.95917 Da
Monoisotopic Mass: 1.8
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]+	151.96645	123.6
[M+Na]+	173.94839	134.8
[M-H]-	149.95189	126.0
[M+NH4]+	168.99299	145.2
[M+K]+	189.92233	132.3
[M+H-H2O]+	133.95643	119.2
[M+HCOO]-	195.95737	138.3
[M+CH3COO]-	209.97302	171.0
[M+Na-2H]-	171.93384	130.7
[M]+	150.95862	127.5
[M]-	150.95972	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.