CID 29563772

1210697-32-7

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]+ 234.068026 148.9
[M+Na]+ 256.049968 157.6
[M-H]- 232.053474 153.9
[M+NH4]+ 251.094573 166.1
[M+K]+ 272.023908 152.5
[M+H-H2O]+ 216.058010 141.3
[M+HCOO]- 278.058951 167.8
[M+CH3COO]- 292.074601 188.6
[M+Na-2H]- 254.035416 156.3
[M]+ 233.06020142 151.9
[M]- 233.06129858 151.9
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.