CID 16766609

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

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=CC=CC=C1C2=NN=C(O2)CCl
InChI
InChI=1S/C10H9ClN2O2/c1-14-8-5-3-2-4-7(8)10-13-12-9(6-11)15-10/h2-5H,6H2,1H3
InChIKey
ZRTPAZHFKPJFHG-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 144.7
[M+Na]+ 247.02447 155.5
[M-H]- 223.02797 149.7
[M+NH4]+ 242.06907 161.7
[M+K]+ 262.99841 152.7
[M+H-H2O]+ 207.03251 137.1
[M+HCOO]- 269.03345 163.2
[M+CH3COO]- 283.04910 185.3
[M+Na-2H]- 245.00992 150.8
[M]+ 224.03470 150.2
[M]- 224.03580 150.2
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.