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

13
Patents

144.00903 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01631 128.1
[M+Na]+ 166.99825 140.3
[M-H]- 143.00175 133.6
[M+NH4]+ 162.04285 143.3
[M+K]+ 182.97219 137.7
[M+H-H2O]+ 127.00629 120.9
[M+HCOO]- 189.00723 146.7
[M+CH3COO]- 203.02288 142.3
[M+Na-2H]- 164.98370 135.1
[M]+ 144.00848 132.9
[M]- 144.00958 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