CID 16767832

677347-79-4

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
C1=CC(=CN=C1)C2=NN=C(O2)CCl
InChI
InChI=1S/C8H6ClN3O/c9-4-7-11-12-8(13-7)6-2-1-3-10-5-6/h1-3,5H,4H2
InChIKey
HQTGPLTVMBODQM-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-pyridin-3-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.01994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.027216 136.7
[M+Na]+ 218.009158 147.4
[M-H]- 194.012664 140.0
[M+NH4]+ 213.053763 153.1
[M+K]+ 233.983098 144.5
[M+H-H2O]+ 178.017200 128.1
[M+HCOO]- 240.018141 154.1
[M+CH3COO]- 254.033791 150.2
[M+Na-2H]- 215.994606 144.4
[M]+ 195.01939142 139.9
[M]- 195.02048858 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