CID 25219247

2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
CC1=NOC(=N1)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C8H6ClN3O/c1-5-11-8(13-12-5)6-2-3-7(9)10-4-6/h2-4H,1H3
InChIKey
ZEDUANSVWZDGHK-UHFFFAOYSA-N
Compound name
5-(6-chloropyridin-3-yl)-3-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

195.01994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02722 137.0
[M+Na]+ 218.00916 148.7
[M-H]- 194.01266 140.8
[M+NH4]+ 213.05376 153.8
[M+K]+ 233.98310 145.7
[M+H-H2O]+ 178.01720 128.8
[M+HCOO]- 240.01814 154.5
[M+CH3COO]- 254.03379 150.9
[M+Na-2H]- 215.99461 143.9
[M]+ 195.01939 140.7
[M]- 195.02049 140.7
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