CID 735607

4-(4-chlorostyryl)pyridine

Structural Information

Molecular Formula
C13H10ClN
SMILES
C1=CC(=CC=C1/C=C/C2=CC=NC=C2)Cl
InChI
InChI=1S/C13H10ClN/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h1-10H/b2-1+
InChIKey
PONMZBJRRLHVPF-OWOJBTEDSA-N
Compound name
4-[(E)-2-(4-chlorophenyl)ethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.05017 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05745 144.9
[M+Na]+ 238.03939 154.1
[M-H]- 214.04289 149.9
[M+NH4]+ 233.08399 162.9
[M+K]+ 254.01333 147.8
[M+H-H2O]+ 198.04743 137.6
[M+HCOO]- 260.04837 163.8
[M+CH3COO]- 274.06402 157.9
[M+Na-2H]- 236.02484 152.4
[M]+ 215.04962 145.8
[M]- 215.05072 145.8
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