CID 803481

N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C14H11ClN2O3
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H11ClN2O3/c1-9-12(6-3-7-13(9)17(19)20)14(18)16-11-5-2-4-10(15)8-11/h2-8H,1H3,(H,16,18)
InChIKey
RWGNJRVKTMGZSK-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0458 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05308 163.1
[M+Na]+ 313.03502 170.3
[M-H]- 289.03852 169.9
[M+NH4]+ 308.07962 178.2
[M+K]+ 329.00896 161.7
[M+H-H2O]+ 273.04306 160.9
[M+HCOO]- 335.04400 184.3
[M+CH3COO]- 349.05965 196.6
[M+Na-2H]- 311.02047 168.5
[M]+ 290.04525 163.8
[M]- 290.04635 163.8
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.