CID 10523409

Oxadiazoles

Structural Information

Molecular Formula
C15H8Cl3FN2O2
SMILES
C1=CC(=CC=C1OCC2=NN=C(O2)C3=CC(=C(C=C3Cl)Cl)F)Cl
InChI
InChI=1S/C15H8Cl3FN2O2/c16-8-1-3-9(4-2-8)22-7-14-20-21-15(23-14)10-5-13(19)12(18)6-11(10)17/h1-6H,7H2
InChIKey
FRYPWUYDPUBMRU-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenoxy)methyl]-5-(2,4-dichloro-5-fluorophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6427
References

88
Patents

371.96353 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.97081 177.7
[M+Na]+ 394.95275 194.9
[M+NH4]+ 389.99735 185.2
[M+K]+ 410.92669 187.5
[M-H]- 370.95625 182.1
[M+Na-2H]- 392.93820 186.1
[M]+ 371.96298 182.4
[M]- 371.96408 182.4
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