CID 710206

2-{[(4-fluorophenyl)imino]methyl}-4-nitrophenol

Structural Information

Molecular Formula
C13H9FN2O3
SMILES
C1=CC(=CC=C1N=CC2=C(C=CC(=C2)[N+](=O)[O-])O)F
InChI
InChI=1S/C13H9FN2O3/c14-10-1-3-11(4-2-10)15-8-9-7-12(16(18)19)5-6-13(9)17/h1-8,17H
InChIKey
BZFOIXXBYDIQTE-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)iminomethyl]-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.05972 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.066996 153.1
[M+Na]+ 283.048938 160.7
[M-H]- 259.052444 159.1
[M+NH4]+ 278.093543 168.7
[M+K]+ 299.022878 152.9
[M+H-H2O]+ 243.056980 149.1
[M+HCOO]- 305.057921 179.2
[M+CH3COO]- 319.073571 191.8
[M+Na-2H]- 281.034386 160.4
[M]+ 260.05917142 150.7
[M]- 260.06026858 150.7
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