CID 710772

N-(5-chloro-2-methoxyphenyl)-2-nitrobenzamide

Structural Information

Molecular Formula
C14H11ClN2O4
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H11ClN2O4/c1-21-13-7-6-9(15)8-11(13)16-14(18)10-4-2-3-5-12(10)17(19)20/h2-8H,1H3,(H,16,18)
InChIKey
DKIIZJBAJLPGMZ-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.04074 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.048016 165.9
[M+Na]+ 329.029958 172.9
[M-H]- 305.033464 172.7
[M+NH4]+ 324.074563 180.2
[M+K]+ 345.003898 164.9
[M+H-H2O]+ 289.038000 163.5
[M+HCOO]- 351.038941 187.2
[M+CH3COO]- 365.054591 198.7
[M+Na-2H]- 327.015406 171.5
[M]+ 306.04019142 167.9
[M]- 306.04128858 167.9
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.