CID 221406

4-chloro-n-(3-nitrophenyl)benzamide

Structural Information

Molecular Formula
C13H9ClN2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H9ClN2O3/c14-10-6-4-9(5-7-10)13(17)15-11-2-1-3-12(8-11)16(18)19/h1-8H,(H,15,17)
InChIKey
DZRVTHXSGBTDPB-UHFFFAOYSA-N
Compound name
4-chloro-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

276.03018 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03746 157.1
[M+Na]+ 299.01940 172.2
[M+NH4]+ 294.06400 165.5
[M+K]+ 314.99334 167.3
[M-H]- 275.02290 163.1
[M+Na-2H]- 297.00485 166.2
[M]+ 276.02963 161.1
[M]- 276.03073 161.1
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

patents stripe