CID 62405172

2-(chloromethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C8H11ClN2O2
SMILES
C1COCCC1C2=NN=C(O2)CCl
InChI
InChI=1S/C8H11ClN2O2/c9-5-7-10-11-8(13-7)6-1-3-12-4-2-6/h6H,1-5H2
InChIKey
MEGVEHWEDMXWOL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0509 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.058176 141.5
[M+Na]+ 225.040118 149.2
[M-H]- 201.043624 145.9
[M+NH4]+ 220.084723 157.5
[M+K]+ 241.014058 148.4
[M+H-H2O]+ 185.048160 134.1
[M+HCOO]- 247.049101 155.3
[M+CH3COO]- 261.064751 154.1
[M+Na-2H]- 223.025566 146.9
[M]+ 202.05035142 142.1
[M]- 202.05144858 142.1
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.