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]+ 210.042856 141.4
[M+Na]+ 232.024798 151.5
[M-H]- 208.028304 144.8
[M+NH4]+ 227.069403 157.2
[M+K]+ 247.998738 148.7
[M+H-H2O]+ 192.032840 132.8
[M+HCOO]- 254.033781 157.6
[M+CH3COO]- 268.049431 154.5
[M+Na-2H]- 230.010246 147.5
[M]+ 209.03503142 144.5
[M]- 209.03612858 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.