CID 711260

4-chloro-n-(2,3-dichlorophenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C13H7Cl3N2O3
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H7Cl3N2O3/c14-8-5-4-7(6-11(8)18(20)21)13(19)17-10-3-1-2-9(15)12(10)16/h1-6H,(H,17,19)
InChIKey
VGOOYJLWZFNZFG-UHFFFAOYSA-N
Compound name
4-chloro-N-(2,3-dichlorophenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.95224 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.95952 172.6
[M+Na]+ 366.94146 180.7
[M-H]- 342.94496 177.3
[M+NH4]+ 361.98606 186.1
[M+K]+ 382.91540 171.1
[M+H-H2O]+ 326.94950 172.4
[M+HCOO]- 388.95044 183.3
[M+CH3COO]- 402.96609 204.2
[M+Na-2H]- 364.92691 175.5
[M]+ 343.95169 175.1
[M]- 343.95279 175.1
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

No patent data available for this compound.