CID 765293

N-(4-fluorophenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C13H9FN2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C13H9FN2O3/c14-10-4-6-11(7-5-10)15-13(17)9-2-1-3-12(8-9)16(18)19/h1-8H,(H,15,17)
InChIKey
YPRHMRVPFAHCJX-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

260.05972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06700 152.0
[M+Na]+ 283.04894 165.2
[M+NH4]+ 278.09354 159.2
[M+K]+ 299.02288 161.5
[M-H]- 259.05244 156.3
[M+Na-2H]- 281.03439 160.3
[M]+ 260.05917 154.8
[M]- 260.06027 154.8
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

patents stripe