CID 872122

N-(3-fluorophenyl)-5-nitrofuran-2-carboxamide

Structural Information

Molecular Formula
C11H7FN2O4
SMILES
C1=CC(=CC(=C1)F)NC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H7FN2O4/c12-7-2-1-3-8(6-7)13-11(15)9-4-5-10(18-9)14(16)17/h1-6H,(H,13,15)
InChIKey
OCCSBIIATSCWHU-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

250.03899 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04627 149.7
[M+Na]+ 273.02821 156.7
[M-H]- 249.03171 156.4
[M+NH4]+ 268.07281 165.8
[M+K]+ 289.00215 151.3
[M+H-H2O]+ 233.03625 146.5
[M+HCOO]- 295.03719 175.5
[M+CH3COO]- 309.05284 187.4
[M+Na-2H]- 271.01366 156.4
[M]+ 250.03844 148.2
[M]- 250.03954 148.2
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