CID 306568

4'-fluoro-4-nitrobenzanilide

Structural Information

Molecular Formula
C13H9FN2O3
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]
InChI
InChI=1S/C13H9FN2O3/c14-10-3-5-11(6-4-10)15-13(17)9-1-7-12(8-2-9)16(18)19/h1-8H,(H,15,17)
InChIKey
IKNWALBEQFNHIW-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

260.05972 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe