CID 16463

2122-86-3

Structural Information

Molecular Formula
C6H3N3O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=O)O2
InChI
InChI=1S/C6H3N3O5/c10-6-8-7-5(14-6)3-1-2-4(13-3)9(11)12/h1-2H,(H,8,10)
InChIKey
OWDANLZJJOCPBK-UHFFFAOYSA-N
Compound name
5-(5-nitrofuran-2-yl)-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

197.00726 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01454 132.4
[M+Na]+ 219.99648 142.6
[M-H]- 195.99998 138.3
[M+NH4]+ 215.04108 148.2
[M+K]+ 235.97042 138.9
[M+H-H2O]+ 180.00452 130.4
[M+HCOO]- 242.00546 158.0
[M+CH3COO]- 256.02111 170.3
[M+Na-2H]- 217.98193 142.1
[M]+ 197.00671 134.5
[M]- 197.00781 134.5
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