CID 94881

5-nitro-2-furonitrile

Structural Information

Molecular Formula
C5H2N2O3
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C#N
InChI
InChI=1S/C5H2N2O3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H
InChIKey
DUJNJLFQOODDNJ-UHFFFAOYSA-N
Compound name
5-nitrofuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

138.00655 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.01383 127.6
[M+Na]+ 160.99577 138.1
[M-H]- 136.99927 131.6
[M+NH4]+ 156.04037 146.6
[M+K]+ 176.96971 134.1
[M+H-H2O]+ 121.00381 119.7
[M+HCOO]- 183.00475 150.4
[M+CH3COO]- 197.02040 179.0
[M+Na-2H]- 158.98122 135.8
[M]+ 138.00600 122.6
[M]- 138.00710 122.6
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