CID 710885

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
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]+ 291.053076 163.1
[M+Na]+ 313.035018 170.3
[M-H]- 289.038524 169.9
[M+NH4]+ 308.079623 178.2
[M+K]+ 329.008958 161.7
[M+H-H2O]+ 273.043060 160.9
[M+HCOO]- 335.044001 184.3
[M+CH3COO]- 349.059651 196.6
[M+Na-2H]- 311.020466 168.5
[M]+ 290.04525142 163.8
[M]- 290.04634858 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

literature stripe

Patent stripe

No patent data available for this compound.