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 135.9
[M+Na]+ 211.02447 149.0
[M+NH4]+ 206.06907 144.4
[M+K]+ 226.99841 145.3
[M-H]- 187.02797 140.6
[M+Na-2H]- 209.00992 141.8
[M]+ 188.03470 139.3
[M]- 188.03580 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.