CID 175484

4-(4-chloro-3-propylphenyl)pyridine

Structural Information

Molecular Formula
C14H14ClN
SMILES
CCCC1=C(C=CC(=C1)C2=CC=NC=C2)Cl
InChI
InChI=1S/C14H14ClN/c1-2-3-13-10-12(4-5-14(13)15)11-6-8-16-9-7-11/h4-10H,2-3H2,1H3
InChIKey
WSCHPDCSJWIBDS-UHFFFAOYSA-N
Compound name
4-(4-chloro-3-propylphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

231.08148 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08876 151.0
[M+Na]+ 254.07070 168.4
[M+NH4]+ 249.11530 161.1
[M+K]+ 270.04464 158.3
[M-H]- 230.07420 156.4
[M+Na-2H]- 252.05615 162.0
[M]+ 231.08093 155.6
[M]- 231.08203 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.