CID 3742507

3,5-dichloro-n-(4-nitrophenyl)benzamide

Structural Information

Molecular Formula
C13H8Cl2N2O3
SMILES
C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H8Cl2N2O3/c14-9-5-8(6-10(15)7-9)13(18)16-11-1-3-12(4-2-11)17(19)20/h1-7H,(H,16,18)
InChIKey
PHSKYXAXTDGAHQ-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-(4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.9912 Da
Monoisotopic Mass

4.6
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

No patent data available for this compound.