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]+ 219.053096 141.7
[M+Na]+ 241.035038 150.9
[M-H]- 217.038544 147.0
[M+NH4]+ 236.079643 160.8
[M+K]+ 257.008978 151.1
[M+H-H2O]+ 201.043080 135.7
[M+HCOO]- 263.044021 158.0
[M+CH3COO]- 277.059671 181.1
[M+Na-2H]- 239.020486 147.0
[M]+ 218.04527142 146.1
[M]- 218.04636858 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.