CID 352209

103418-56-0

Structural Information

Molecular Formula
C6H4N2O3
SMILES
C1=COC(=C1)C2=NNC(=O)O2
InChI
InChI=1S/C6H4N2O3/c9-6-8-7-5(11-6)4-2-1-3-10-4/h1-3H,(H,8,9)
InChIKey
JLJNURLUEDZPPR-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

152.02219 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02947 122.2
[M+Na]+ 175.01141 133.8
[M-H]- 151.01491 127.6
[M+NH4]+ 170.05601 140.8
[M+K]+ 190.98535 134.0
[M+H-H2O]+ 135.01945 116.1
[M+HCOO]- 197.02039 146.9
[M+CH3COO]- 211.03604 137.9
[M+Na-2H]- 172.99686 130.3
[M]+ 152.02164 125.7
[M]- 152.02274 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe