CID 4430391

N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide

Structural Information

Molecular Formula
C15H13ClN2O4
SMILES
CCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H13ClN2O4/c1-2-22-12-6-3-10(4-7-12)15(19)17-14-8-5-11(18(20)21)9-13(14)16/h3-9H,2H2,1H3,(H,17,19)
InChIKey
NAYZCZLSQWCEQO-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0564 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06368 170.7
[M+Na]+ 343.04562 177.3
[M-H]- 319.04912 177.4
[M+NH4]+ 338.09022 184.5
[M+K]+ 359.01956 169.1
[M+H-H2O]+ 303.05366 168.1
[M+HCOO]- 365.05460 191.7
[M+CH3COO]- 379.07025 201.7
[M+Na-2H]- 341.03107 175.8
[M]+ 320.05585 173.1
[M]- 320.05695 173.1
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.