CID 773731

N-(3,4-dichlorophenyl)-2-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C14H10Cl2N2O3
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2N2O3/c1-8-10(3-2-4-13(8)18(20)21)14(19)17-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,17,19)
InChIKey
ATRMCGMFUQBVPN-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.00684 Da
Monoisotopic Mass

4.6
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

No patent data available for this compound.