CID 3801758

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

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=CC=CC(=C1)C2=NOC(=N2)CCl
InChI
InChI=1S/C10H9ClN2O2/c1-14-8-4-2-3-7(5-8)10-12-9(6-11)15-13-10/h2-5H,6H2,1H3
InChIKey
WCKMMCGTGZMQBY-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

224.03525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 144.6
[M+Na]+ 247.02447 159.9
[M+NH4]+ 242.06907 152.9
[M+K]+ 262.99841 154.8
[M-H]- 223.02797 148.6
[M+Na-2H]- 245.00992 152.7
[M]+ 224.03470 148.3
[M]- 224.03580 148.3
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