CID 64396029

1009562-61-1

Structural Information

Molecular Formula

C₈H₅Cl₂N₃O

SMILES

C1=CC(=NC=C1Cl)C2=NN=C(O2)CCl

InChI

InChI=1S/C8H5Cl2N3O/c9-3-7-12-13-8(14-7)6-2-1-5(10)4-11-6/h1-2,4H,3H2

InChIKey

RFUPSMVMTLALFF-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-5-(5-chloro-2-pyridinyl)-1,3,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.98097 Da
Monoisotopic Mass: 1.4
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]+	229.988246	143.2
[M+Na]+	251.970188	155.0
[M-H]-	227.973694	146.0
[M+NH4]+	247.014793	158.8
[M+K]+	267.944128	150.8
[M+H-H2O]+	211.978230	134.9
[M+HCOO]-	273.979171	155.2
[M+CH3COO]-	287.994821	156.1
[M+Na-2H]-	249.955636	149.2
[M]+	228.98042142	147.6
[M]-	228.98151858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe