CID 50918089

3-chloro-5-(furan-2-yl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C6H3ClN2O2
SMILES
C1=COC(=C1)C2=NC(=NO2)Cl
InChI
InChI=1S/C6H3ClN2O2/c7-6-8-5(11-9-6)4-2-1-3-10-4/h1-3H
InChIKey
CIDQMLKRNVEPPT-UHFFFAOYSA-N
Compound name
3-chloro-5-(furan-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.98831 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99559 126.4
[M+Na]+ 192.97753 141.4
[M+NH4]+ 188.02213 135.0
[M+K]+ 208.95147 139.6
[M-H]- 168.98103 131.0
[M+Na-2H]- 190.96298 134.4
[M]+ 169.98776 130.1
[M]- 169.98886 130.1
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.