CID 12577

5-nitro-2-furoic acid

Structural Information

Molecular Formula
C5H3NO5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)
InChIKey
IODMEDPPCXSFLD-UHFFFAOYSA-N
Compound name
5-nitrofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

782
Patents

157.00113 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.00841 125.5
[M+Na]+ 179.99035 133.6
[M-H]- 155.99385 129.2
[M+NH4]+ 175.03495 145.2
[M+K]+ 195.96429 130.3
[M+H-H2O]+ 139.99839 125.4
[M+HCOO]- 201.99933 150.7
[M+CH3COO]- 216.01498 164.8
[M+Na-2H]- 177.97580 133.6
[M]+ 157.00058 125.4
[M]- 157.00168 125.4
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