CID 122163303

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

Structural Information

Molecular Formula
C8H11ClN2O3
SMILES
COC1(CCOC1)C2=NN=C(O2)CCl
InChI
InChI=1S/C8H11ClN2O3/c1-12-8(2-3-13-5-8)7-11-10-6(4-9)14-7/h2-5H2,1H3
InChIKey
KFIMMRPQXRQCLL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(3-methoxyoxolan-3-yl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.04582 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05310 141.7
[M+Na]+ 241.03504 150.9
[M-H]- 217.03854 147.0
[M+NH4]+ 236.07964 160.8
[M+K]+ 257.00898 151.1
[M+H-H2O]+ 201.04308 135.7
[M+HCOO]- 263.04402 158.0
[M+CH3COO]- 277.05967 181.1
[M+Na-2H]- 239.02049 147.0
[M]+ 218.04527 146.1
[M]- 218.04637 146.1
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.