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]+ 325.014116 170.2
[M+Na]+ 346.996058 178.4
[M-H]- 322.999564 176.3
[M+NH4]+ 342.040663 184.6
[M+K]+ 362.969998 168.9
[M+H-H2O]+ 307.004100 169.1
[M+HCOO]- 369.005041 186.2
[M+CH3COO]- 383.020691 202.1
[M+Na-2H]- 344.981506 173.9
[M]+ 324.00629142 172.7
[M]- 324.00738858 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.