CID 710878

2-chloro-n-(3-chloro-4-methylphenyl)-4-nitrobenzamide

Structural Information

Molecular Formula
C14H10Cl2N2O3
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C14H10Cl2N2O3/c1-8-2-3-9(6-12(8)15)17-14(19)11-5-4-10(18(20)21)7-13(11)16/h2-7H,1H3,(H,17,19)
InChIKey
WIUULVUZROYUNO-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

324.00684 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.01412 170.2
[M+Na]+ 346.99606 178.4
[M-H]- 322.99956 176.3
[M+NH4]+ 342.04066 184.6
[M+K]+ 362.97000 168.9
[M+H-H2O]+ 307.00410 169.1
[M+HCOO]- 369.00504 186.2
[M+CH3COO]- 383.02069 202.1
[M+Na-2H]- 344.98151 173.9
[M]+ 324.00629 172.7
[M]- 324.00739 172.7
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