CID 77663

Salicylanilide, 4'-fluoro-3-nitro-

Structural Information

Molecular Formula
C13H9FN2O4
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C13H9FN2O4/c14-8-4-6-9(7-5-8)15-13(18)10-2-1-3-11(12(10)17)16(19)20/h1-7,17H,(H,15,18)
InChIKey
YHAKOGOODGRFEI-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-2-hydroxy-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

276.05463 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.061906 155.5
[M+Na]+ 299.043848 162.2
[M-H]- 275.047354 160.1
[M+NH4]+ 294.088453 169.5
[M+K]+ 315.017788 154.6
[M+H-H2O]+ 259.051890 151.6
[M+HCOO]- 321.052831 179.3
[M+CH3COO]- 335.068481 192.1
[M+Na-2H]- 297.029296 161.4
[M]+ 276.05408142 152.0
[M]- 276.05517858 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

No literature data available for this compound.

Patent stripe

patents stripe