CID 43135334

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

Structural Information

Molecular Formula
C7H4ClN3O
SMILES
C1=CC(=NC=C1C2=NOC=N2)Cl
InChI
InChI=1S/C7H4ClN3O/c8-6-2-1-5(3-9-6)7-10-4-12-11-7/h1-4H
InChIKey
VMQVXTINJOFLTD-UHFFFAOYSA-N
Compound name
3-(6-chloropyridin-3-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.00429 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01157 132.0
[M+Na]+ 203.99351 143.2
[M-H]- 179.99701 135.5
[M+NH4]+ 199.03811 149.0
[M+K]+ 219.96745 140.5
[M+H-H2O]+ 164.00155 123.7
[M+HCOO]- 226.00249 149.8
[M+CH3COO]- 240.01814 146.0
[M+Na-2H]- 201.97896 140.3
[M]+ 181.00374 134.9
[M]- 181.00484 134.9
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

No patent data available for this compound.