CID 53621881

5-chloro-3-cyclopropyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
C1CC1C2=NOC(=N2)Cl
InChI
InChI=1S/C5H5ClN2O/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2
InChIKey
AKPDCLPMFJYLLY-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclopropyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

144.00903 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.016306 128.1
[M+Na]+ 166.998248 140.3
[M-H]- 143.001754 133.6
[M+NH4]+ 162.042853 143.3
[M+K]+ 182.972188 137.7
[M+H-H2O]+ 127.006290 120.9
[M+HCOO]- 189.007231 146.7
[M+CH3COO]- 203.022881 142.3
[M+Na-2H]- 164.983696 135.1
[M]+ 144.00848142 132.9
[M]- 144.00957858 132.9
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