CID 119902

3-(4-nitrophenoxy)pyridine

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CC(=CN=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O3/c14-13(15)9-3-5-10(6-4-9)16-11-2-1-7-12-8-11/h1-8H
InChIKey
BXRQEJKKEDDSBF-UHFFFAOYSA-N
Compound name
3-(4-nitrophenoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

216.0535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.060776 143.2
[M+Na]+ 239.042718 150.3
[M-H]- 215.046224 148.9
[M+NH4]+ 234.087323 159.0
[M+K]+ 255.016658 143.8
[M+H-H2O]+ 199.050760 139.5
[M+HCOO]- 261.051701 168.5
[M+CH3COO]- 275.067351 180.4
[M+Na-2H]- 237.028166 153.3
[M]+ 216.05295142 142.2
[M]- 216.05404858 142.2
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