CID 765293

4'-fluoro-3-nitrobenzanilide

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

9
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 153.0
[M+Na]+ 283.04894 159.4
[M-H]- 259.05244 158.6
[M+NH4]+ 278.09354 168.1
[M+K]+ 299.02288 152.0
[M+H-H2O]+ 243.05698 148.9
[M+HCOO]- 305.05792 178.1
[M+CH3COO]- 319.07357 191.4
[M+Na-2H]- 281.03439 159.7
[M]+ 260.05917 149.5
[M]- 260.06027 149.5
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