CID 16227561

3-[5-(1-chloroethyl)-1,2,4-oxadiazol-3-yl]pyridine

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
CC(C1=NC(=NO1)C2=CN=CC=C2)Cl
InChI
InChI=1S/C9H8ClN3O/c1-6(10)9-12-8(13-14-9)7-3-2-4-11-5-7/h2-6H,1H3
InChIKey
WLYCMJSCVOQDLT-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-pyridin-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.03558 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04286 141.4
[M+Na]+ 232.02480 151.5
[M-H]- 208.02830 144.8
[M+NH4]+ 227.06940 157.2
[M+K]+ 247.99874 148.7
[M+H-H2O]+ 192.03284 132.8
[M+HCOO]- 254.03378 157.6
[M+CH3COO]- 268.04943 154.5
[M+Na-2H]- 230.01025 147.5
[M]+ 209.03503 144.5
[M]- 209.03613 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.