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-chloro-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

195.01994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.027216 137.0
[M+Na]+ 218.009158 148.7
[M-H]- 194.012664 140.8
[M+NH4]+ 213.053763 153.8
[M+K]+ 233.983098 145.7
[M+H-H2O]+ 178.017200 128.8
[M+HCOO]- 240.018141 154.5
[M+CH3COO]- 254.033791 150.9
[M+Na-2H]- 215.994606 143.9
[M]+ 195.01939142 140.7
[M]- 195.02048858 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