CID 221609

5-nitro-n-phenylfuran-2-carboxamide

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O4/c14-11(12-8-4-2-1-3-5-8)9-6-7-10(17-9)13(15)16/h1-7H,(H,12,14)
InChIKey
BPZNHKQKNUUVQA-UHFFFAOYSA-N
Compound name
5-nitro-N-phenylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

29
Patents

232.0484 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 147.6
[M+Na]+ 255.03762 153.6
[M-H]- 231.04112 155.3
[M+NH4]+ 250.08222 164.1
[M+K]+ 271.01156 148.7
[M+H-H2O]+ 215.04566 145.1
[M+HCOO]- 277.04660 174.4
[M+CH3COO]- 291.06225 183.6
[M+Na-2H]- 253.02307 155.5
[M]+ 232.04785 146.7
[M]- 232.04895 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