CID 62596856

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

Structural Information

Molecular Formula
C4H5ClN2O2
SMILES
COCC1=NOC(=N1)Cl
InChI
InChI=1S/C4H5ClN2O2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3
InChIKey
HIDHDJCGYSEMSS-UHFFFAOYSA-N
Compound name
5-chloro-3-(methoxymethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.00395 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.01123 123.3
[M+Na]+ 170.99317 134.3
[M-H]- 146.99667 125.1
[M+NH4]+ 166.03777 143.4
[M+K]+ 186.96711 133.7
[M+H-H2O]+ 131.00121 117.3
[M+HCOO]- 193.00215 142.3
[M+CH3COO]- 207.01780 170.7
[M+Na-2H]- 168.97862 131.2
[M]+ 148.00340 128.5
[M]- 148.00450 128.5
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.