CID 53435089

2-fluoro-6-nitro-n-phenylbenzamide

Structural Information

Molecular Formula
C13H9FN2O3
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2F)[N+](=O)[O-]
InChI
InChI=1S/C13H9FN2O3/c14-10-7-4-8-11(16(18)19)12(10)13(17)15-9-5-2-1-3-6-9/h1-8H,(H,15,17)
InChIKey
GQVRPSFDUVNMDA-UHFFFAOYSA-N
Compound name
2-fluoro-6-nitro-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

260.05972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.066996 153.0
[M+Na]+ 283.048938 159.4
[M-H]- 259.052444 158.6
[M+NH4]+ 278.093543 168.1
[M+K]+ 299.022878 152.0
[M+H-H2O]+ 243.056980 148.9
[M+HCOO]- 305.057921 178.1
[M+CH3COO]- 319.073571 191.4
[M+Na-2H]- 281.034386 159.7
[M]+ 260.05917142 149.5
[M]- 260.06026858 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