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]+ 261.06700 153.1
[M+Na]+ 283.04894 160.7
[M-H]- 259.05244 159.1
[M+NH4]+ 278.09354 168.7
[M+K]+ 299.02288 152.9
[M+H-H2O]+ 243.05698 149.1
[M+HCOO]- 305.05792 179.2
[M+CH3COO]- 319.07357 191.8
[M+Na-2H]- 281.03439 160.4
[M]+ 260.05917 150.7
[M]- 260.06027 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