CID 62384454

5-chloro-3-(oxan-4-yl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C7H9ClN2O2
SMILES
C1COCCC1C2=NOC(=N2)Cl
InChI
InChI=1S/C7H9ClN2O2/c8-7-9-6(10-12-7)5-1-3-11-4-2-5/h5H,1-4H2
InChIKey
MGSBCWXQZBBVAQ-UHFFFAOYSA-N
Compound name
5-chloro-3-(oxan-4-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03525 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04253 136.9
[M+Na]+ 211.02447 144.9
[M-H]- 187.02797 141.4
[M+NH4]+ 206.06907 153.4
[M+K]+ 226.99841 144.4
[M+H-H2O]+ 171.03251 129.6
[M+HCOO]- 233.03345 151.0
[M+CH3COO]- 247.04910 149.8
[M+Na-2H]- 209.00992 142.8
[M]+ 188.03470 137.0
[M]- 188.03580 137.0
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.