CID 29563772

4-[4-(chloromethyl)phenoxymethyl]pyridine hydrochloride

Structural Information

Molecular Formula
C13H12ClNO
SMILES
C1=CC(=CC=C1CCl)OCC2=CC=NC=C2
InChI
InChI=1S/C13H12ClNO/c14-9-11-1-3-13(4-2-11)16-10-12-5-7-15-8-6-12/h1-8H,9-10H2
InChIKey
KIAJOIHNMNZOQU-UHFFFAOYSA-N
Compound name
4-[[4-(chloromethyl)phenoxy]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06075 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06803 149.7
[M+Na]+ 256.04997 166.5
[M+NH4]+ 251.09457 159.5
[M+K]+ 272.02391 157.0
[M-H]- 232.05347 154.7
[M+Na-2H]- 254.03542 160.8
[M]+ 233.06020 154.1
[M]- 233.06130 154.1
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.