CID 2737038

2-(2,4-difluorophenoxy)-3-nitropyridine

Structural Information

Molecular Formula
C11H6F2N2O3
SMILES
C1=CC(=C(N=C1)OC2=C(C=C(C=C2)F)F)[N+](=O)[O-]
InChI
InChI=1S/C11H6F2N2O3/c12-7-3-4-10(8(13)6-7)18-11-9(15(16)17)2-1-5-14-11/h1-6H
InChIKey
WZRAMZMIQUBNMG-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenoxy)-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

252.03465 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04193 148.0
[M+Na]+ 275.02387 157.1
[M-H]- 251.02737 151.6
[M+NH4]+ 270.06847 162.8
[M+K]+ 290.99781 149.6
[M+H-H2O]+ 235.03191 142.7
[M+HCOO]- 297.03285 171.2
[M+CH3COO]- 311.04850 188.0
[M+Na-2H]- 273.00932 155.6
[M]+ 252.03410 145.7
[M]- 252.03520 145.7
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.