CID 3252371

5-nitro-2-phenoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

216.0535 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06078 143.2
[M+Na]+ 239.04272 150.3
[M-H]- 215.04622 148.9
[M+NH4]+ 234.08732 159.0
[M+K]+ 255.01666 143.8
[M+H-H2O]+ 199.05076 139.5
[M+HCOO]- 261.05170 168.5
[M+CH3COO]- 275.06735 180.4
[M+Na-2H]- 237.02817 153.3
[M]+ 216.05295 142.2
[M]- 216.05405 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

literature stripe

Patent stripe

patents stripe