CID 720125

4-chloro-n-(2-chloro-5-nitrophenyl)benzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

309.9912 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.998476 165.6
[M+Na]+ 332.980418 173.3
[M-H]- 308.983924 171.5
[M+NH4]+ 328.025023 180.2
[M+K]+ 348.954358 163.9
[M+H-H2O]+ 292.988460 164.5
[M+HCOO]- 354.989401 181.9
[M+CH3COO]- 369.005051 198.0
[M+Na-2H]- 330.965866 170.5
[M]+ 309.99065142 167.3
[M]- 309.99174858 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

No literature data available for this compound.

Patent stripe

patents stripe