CID 72213366

3-(benzyloxy)-5-(chloromethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C13H12ClNO
SMILES
C1=CC=C(C=C1)COC2=CN=CC(=C2)CCl
InChI
InChI=1S/C13H12ClNO/c14-7-12-6-13(9-15-8-12)16-10-11-4-2-1-3-5-11/h1-6,8-9H,7,10H2
InChIKey
HSTYDEMFGOIXSC-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-phenylmethoxypyridine
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 148.9
[M+Na]+ 256.04997 157.6
[M-H]- 232.05347 153.9
[M+NH4]+ 251.09457 166.1
[M+K]+ 272.02391 152.5
[M+H-H2O]+ 216.05801 141.3
[M+HCOO]- 278.05895 167.8
[M+CH3COO]- 292.07460 188.6
[M+Na-2H]- 254.03542 156.3
[M]+ 233.06020 151.9
[M]- 233.06130 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.