CID 710902

2-chloro-n-(4-methoxyphenyl)-4-nitrobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.04074 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04802 165.9
[M+Na]+ 329.02996 172.9
[M-H]- 305.03346 172.7
[M+NH4]+ 324.07456 180.2
[M+K]+ 345.00390 164.9
[M+H-H2O]+ 289.03800 163.5
[M+HCOO]- 351.03894 187.2
[M+CH3COO]- 365.05459 198.7
[M+Na-2H]- 327.01541 171.5
[M]+ 306.04019 167.9
[M]- 306.04129 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

patents stripe