CID 3085968

(chloropropylphenyl)pyridine

Structural Information

Molecular Formula
C14H14ClN
SMILES
C[C@@H](CC1=CC=CC=C1C2=CC=NC=C2)Cl
InChI
InChI=1S/C14H14ClN/c1-11(15)10-13-4-2-3-5-14(13)12-6-8-16-9-7-12/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKey
JJTJVLGXANAXBB-NSHDSACASA-N
Compound name
4-[2-[(2S)-2-chloropropyl]phenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08148 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08876 150.1
[M+Na]+ 254.07070 158.2
[M-H]- 230.07420 155.0
[M+NH4]+ 249.11530 167.4
[M+K]+ 270.04464 152.7
[M+H-H2O]+ 214.07874 142.7
[M+HCOO]- 276.07968 167.5
[M+CH3COO]- 290.09533 162.5
[M+Na-2H]- 252.05615 155.9
[M]+ 231.08093 151.6
[M]- 231.08203 151.6
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.