CID 531897

N-(3-nitrophenyl)furan-2-carboxamide

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=CO2
InChI
InChI=1S/C11H8N2O4/c14-11(10-5-2-6-17-10)12-8-3-1-4-9(7-8)13(15)16/h1-7H,(H,12,14)
InChIKey
VOVIUHCZEVLDNA-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

232.0484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.055676 147.6
[M+Na]+ 255.037618 153.6
[M-H]- 231.041124 155.3
[M+NH4]+ 250.082223 164.1
[M+K]+ 271.011558 148.7
[M+H-H2O]+ 215.045660 145.1
[M+HCOO]- 277.046601 174.4
[M+CH3COO]- 291.062251 183.6
[M+Na-2H]- 253.023066 155.5
[M]+ 232.04785142 146.7
[M]- 232.04894858 146.7
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