CID 16228375

3-(chloromethyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C9H6Cl2N2O
SMILES
C1=CC=C(C(=C1)C2=NC(=NO2)CCl)Cl
InChI
InChI=1S/C9H6Cl2N2O/c10-5-8-12-9(14-13-8)6-3-1-2-4-7(6)11/h1-4H,5H2
InChIKey
RYRIXIFYINOGIR-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

227.98572 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99300 143.6
[M+Na]+ 250.97494 160.0
[M+NH4]+ 246.01954 152.6
[M+K]+ 266.94888 153.7
[M-H]- 226.97844 147.8
[M+Na-2H]- 248.96039 152.2
[M]+ 227.98517 147.8
[M]- 227.98627 147.8
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