CID 487732

5-fluoro-2-hydroxy-n-(3-nitrophenyl)benzamide

Structural Information

Molecular Formula
C13H9FN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C13H9FN2O4/c14-8-4-5-12(17)11(6-8)13(18)15-9-2-1-3-10(7-9)16(19)20/h1-7,17H,(H,15,18)
InChIKey
LKVUSGNOTHYDKI-UHFFFAOYSA-N
Compound name
5-fluoro-2-hydroxy-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.05463 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06191 155.5
[M+Na]+ 299.04385 162.2
[M-H]- 275.04735 160.1
[M+NH4]+ 294.08845 169.5
[M+K]+ 315.01779 154.6
[M+H-H2O]+ 259.05189 151.6
[M+HCOO]- 321.05283 179.3
[M+CH3COO]- 335.06848 192.1
[M+Na-2H]- 297.02930 161.4
[M]+ 276.05408 152.0
[M]- 276.05518 152.0
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

No patent data available for this compound.