CID 710797

N-(3,5-dichlorophenyl)-4-nitrobenzamide

Structural Information

Molecular Formula
C13H8Cl2N2O3
SMILES
C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H8Cl2N2O3/c14-9-5-10(15)7-11(6-9)16-13(18)8-1-3-12(4-2-8)17(19)20/h1-7H,(H,16,18)
InChIKey
SUFGASWKVLSBAQ-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

309.9912 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.99848 165.6
[M+Na]+ 332.98042 173.3
[M-H]- 308.98392 171.5
[M+NH4]+ 328.02502 180.2
[M+K]+ 348.95436 163.9
[M+H-H2O]+ 292.98846 164.5
[M+HCOO]- 354.98940 181.9
[M+CH3COO]- 369.00505 198.0
[M+Na-2H]- 330.96587 170.5
[M]+ 309.99065 167.3
[M]- 309.99175 167.3
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