CID 603462

2-chloro-n-(2-chloro-4-nitrophenyl)-4-nitrobenzamide

Structural Information

Molecular Formula
C13H7Cl2N3O5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H7Cl2N3O5/c14-10-5-7(17(20)21)1-3-9(10)13(19)16-12-4-2-8(18(22)23)6-11(12)15/h1-6H,(H,16,19)
InChIKey
DIRIOIMKTVIFIK-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloro-4-nitrophenyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

354.9763 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.98358 175.7
[M+Na]+ 377.96552 191.0
[M+NH4]+ 373.01012 182.6
[M+K]+ 393.93946 188.8
[M-H]- 353.96902 181.7
[M+Na-2H]- 375.95097 182.4
[M]+ 354.97575 179.9
[M]- 354.97685 179.9
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