CID 12774

5-nitro-2-furaldehyde

Structural Information

Molecular Formula
C5H3NO4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C=O
InChI
InChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H
InChIKey
SXINBFXPADXIEY-UHFFFAOYSA-N
Compound name
5-nitrofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

59
References

2556
Patents

141.00621 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.01349 122.6
[M+Na]+ 163.99543 131.5
[M-H]- 139.99893 127.7
[M+NH4]+ 159.04003 143.8
[M+K]+ 179.96937 128.3
[M+H-H2O]+ 124.00347 122.4
[M+HCOO]- 186.00441 150.0
[M+CH3COO]- 200.02006 164.8
[M+Na-2H]- 161.98088 132.2
[M]+ 141.00566 123.6
[M]- 141.00676 123.6
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.