CID 63012523

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

Structural Information

Molecular Formula
C8H11ClN2O2
SMILES
C1CC(COC1)C2=NN=C(O2)CCl
InChI
InChI=1S/C8H11ClN2O2/c9-4-7-10-11-8(13-7)6-2-1-3-12-5-6/h6H,1-5H2
InChIKey
CQJJORWMPDNWBH-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(oxan-3-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]+ 203.05818 141.5
[M+Na]+ 225.04012 149.2
[M-H]- 201.04362 145.9
[M+NH4]+ 220.08472 157.5
[M+K]+ 241.01406 148.4
[M+H-H2O]+ 185.04816 134.1
[M+HCOO]- 247.04910 155.3
[M+CH3COO]- 261.06475 154.1
[M+Na-2H]- 223.02557 146.9
[M]+ 202.05035 142.1
[M]- 202.05145 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.