CID 5376482

2-[(e)-2-(4-nitrophenyl)vinyl]pyridine

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

C1=CC=NC(=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O2/c16-15(17)13-8-5-11(6-9-13)4-7-12-3-1-2-10-14-12/h1-10H/b7-4+

InChIKey

RBWIGCZMJZUUCB-QPJJXVBHSA-N

Compound name

2-[(E)-2-(4-nitrophenyl)ethenyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 226.07423 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.08151	148.0
[M+Na]+	249.06345	163.9
[M+NH4]+	244.10805	156.6
[M+K]+	265.03739	158.3
[M-H]-	225.06695	153.6
[M+Na-2H]-	247.04890	158.1
[M]+	226.07368	151.8
[M]-	226.07478	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe