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

literature stripe

Patent stripe

patents stripe