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

1796
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

literature stripe

Patent stripe

patents stripe