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

92
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