CID 23007999

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

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
C1=CN=CC=C1C2=NOC(=N2)CCl
InChI
InChI=1S/C8H6ClN3O/c9-5-7-11-8(12-13-7)6-1-3-10-4-2-6/h1-4H,5H2
InChIKey
TTYRVRZPJAJSGJ-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

195.01994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02722 136.7
[M+Na]+ 218.00916 147.4
[M-H]- 194.01266 140.0
[M+NH4]+ 213.05376 153.1
[M+K]+ 233.98310 144.5
[M+H-H2O]+ 178.01720 128.1
[M+HCOO]- 240.01814 154.1
[M+CH3COO]- 254.03379 150.2
[M+Na-2H]- 215.99461 144.4
[M]+ 195.01939 139.9
[M]- 195.02049 139.9
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

patents stripe