CID 259219

4-(4-nitrophenyl)pyridine

Structural Information

Molecular Formula
C11H8N2O2
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O2/c14-13(15)11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-8H
InChIKey
XBXSGMVYJPSYLI-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

90
Patents

200.05858 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06586 139.9
[M+Na]+ 223.04780 147.2
[M-H]- 199.05130 145.5
[M+NH4]+ 218.09240 156.5
[M+K]+ 239.02174 140.2
[M+H-H2O]+ 183.05584 136.5
[M+HCOO]- 245.05678 165.1
[M+CH3COO]- 259.07243 178.3
[M+Na-2H]- 221.03325 149.9
[M]+ 200.05803 137.6
[M]- 200.05913 137.6
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