CID 16227709

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

Structural Information

Molecular Formula
C10H8ClFN2O2
SMILES
C1=CC(=CC=C1OCC2=NOC(=N2)CCl)F
InChI
InChI=1S/C10H8ClFN2O2/c11-5-10-13-9(14-16-10)6-15-8-3-1-7(12)2-4-8/h1-4H,5-6H2
InChIKey
OGEDYWKOXPLQFM-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.02583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03311 148.2
[M+Na]+ 265.01505 162.3
[M+NH4]+ 260.05965 155.6
[M+K]+ 280.98899 157.3
[M-H]- 241.01855 150.5
[M+Na-2H]- 263.00050 155.4
[M]+ 242.02528 151.1
[M]- 242.02638 151.1
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

No patent data available for this compound.