CID 163304

Nitrafudam

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C(=N)N)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O3/c12-11(13)10-6-5-9(17-10)7-3-1-2-4-8(7)14(15)16/h1-6H,(H3,12,13)
InChIKey
FYUZOMGBPKUZNJ-UHFFFAOYSA-N
Compound name
5-(2-nitrophenyl)furan-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

231.06439 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.071666 147.7
[M+Na]+ 254.053608 153.7
[M-H]- 230.057114 155.1
[M+NH4]+ 249.098213 163.9
[M+K]+ 270.027548 147.8
[M+H-H2O]+ 214.061650 145.0
[M+HCOO]- 276.062591 174.6
[M+CH3COO]- 290.078241 187.5
[M+Na-2H]- 252.039056 154.3
[M]+ 231.06384142 144.2
[M]- 231.06493858 144.2
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