CID 11715562

175205-62-6

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₂

SMILES

COC1=CC=CC(=C1)C2=NC(=NO2)CCl

InChI

InChI=1S/C10H9ClN2O2/c1-14-8-4-2-3-7(5-8)10-12-9(6-11)13-15-10/h2-5H,6H2,1H3

InChIKey

GSWMZQIUADKXLN-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 224.03525 Da
Monoisotopic Mass: 2.2
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]+	225.04253	144.6
[M+Na]+	247.02447	159.9
[M+NH4]+	242.06907	152.9
[M+K]+	262.99841	154.8
[M-H]-	223.02797	148.6
[M+Na-2H]-	245.00992	152.7
[M]+	224.03470	148.3
[M]-	224.03580	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe