CID 43150194

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

Structural Information

Molecular Formula
C10H8Cl2N2O
SMILES
CC(C1=NC(=NO1)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H8Cl2N2O/c1-6(11)10-13-9(14-15-10)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKey
YVIPAQAGSSUVOB-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

242.00137 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00865 148.4
[M+Na]+ 264.99059 159.2
[M-H]- 240.99409 152.6
[M+NH4]+ 260.03519 165.0
[M+K]+ 280.96453 155.0
[M+H-H2O]+ 224.99863 141.2
[M+HCOO]- 286.99957 160.4
[M+CH3COO]- 301.01522 161.2
[M+Na-2H]- 262.97604 152.5
[M]+ 242.00082 152.8
[M]- 242.00192 152.8
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