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

18
Patents

226.07423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.081506 148.8
[M+Na]+ 249.063448 155.6
[M-H]- 225.066954 154.2
[M+NH4]+ 244.108053 164.4
[M+K]+ 265.037388 147.5
[M+H-H2O]+ 209.071490 145.1
[M+HCOO]- 271.072431 173.5
[M+CH3COO]- 285.088081 182.7
[M+Na-2H]- 247.048896 157.7
[M]+ 226.07368142 146.4
[M]- 226.07477858 146.4
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