CID 60730372

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

Structural Information

Molecular Formula
C5H7ClN2O2
SMILES
COCC1=NN=C(O1)CCl
InChI
InChI=1S/C5H7ClN2O2/c1-9-3-5-8-7-4(2-6)10-5/h2-3H2,1H3
InChIKey
ZFTOBXGJXIVYPM-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(methoxymethyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

162.0196 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02688 128.0
[M+Na]+ 185.00882 138.6
[M-H]- 161.01232 129.7
[M+NH4]+ 180.05342 147.6
[M+K]+ 200.98276 137.8
[M+H-H2O]+ 145.01686 121.8
[M+HCOO]- 207.01780 146.7
[M+CH3COO]- 221.03345 173.7
[M+Na-2H]- 182.99427 135.4
[M]+ 162.01905 133.6
[M]- 162.02015 133.6
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