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]+ 170.995586 127.2
[M+Na]+ 192.977528 139.7
[M-H]- 168.981034 133.5
[M+NH4]+ 188.022133 146.7
[M+K]+ 208.951468 139.1
[M+H-H2O]+ 152.985570 121.1
[M+HCOO]- 214.986511 148.1
[M+CH3COO]- 229.002161 143.1
[M+Na-2H]- 190.962976 135.1
[M]+ 169.98776142 133.6
[M]- 169.98885858 133.6
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.