CID 3011938

2-furancarboxamide, n-[(2-chlorophenyl)methyl]-5-nitro-

Structural Information

Molecular Formula
C12H9ClN2O4
SMILES
C1=CC=C(C(=C1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H9ClN2O4/c13-9-4-2-1-3-8(9)7-14-12(16)10-5-6-11(19-10)15(17)18/h1-6H,7H2,(H,14,16)
InChIKey
MZUWJURLVYFNJA-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

280.0251 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03238 161.6
[M+Na]+ 303.01432 168.5
[M-H]- 279.01782 169.1
[M+NH4]+ 298.05892 177.2
[M+K]+ 318.98826 161.7
[M+H-H2O]+ 263.02236 159.8
[M+HCOO]- 325.02330 183.3
[M+CH3COO]- 339.03895 191.5
[M+Na-2H]- 300.99977 167.4
[M]+ 280.02455 163.6
[M]- 280.02565 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.