CID 2735758

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

Structural Information

Molecular Formula
C9H6Cl2N2O
SMILES
C1=CC(=CC=C1C2=NOC(=N2)CCl)Cl
InChI
InChI=1S/C9H6Cl2N2O/c10-5-8-12-9(13-14-8)6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKey
BJVYSQGEJHKTBW-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

227.98572 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe