CID 754519

N-(3-chlorophenyl)-5-nitrofuran-2-carboxamide

Structural Information

Molecular Formula
C11H7ClN2O4
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H7ClN2O4/c12-7-2-1-3-8(6-7)13-11(15)9-4-5-10(18-9)14(16)17/h1-6H,(H,13,15)
InChIKey
KZZRNKLESVOZGL-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

266.00943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.01671 156.7
[M+Na]+ 288.99865 164.0
[M-H]- 265.00215 164.3
[M+NH4]+ 284.04325 172.9
[M+K]+ 304.97259 157.4
[M+H-H2O]+ 249.00669 155.1
[M+HCOO]- 311.00763 178.7
[M+CH3COO]- 325.02328 188.5
[M+Na-2H]- 286.98410 163.0
[M]+ 266.00888 158.3
[M]- 266.00998 158.3
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