CID 819374

3-(benzyloxy)-2-chloropyridine

Structural Information

Molecular Formula
C12H10ClNO
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)Cl
InChI
InChI=1S/C12H10ClNO/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
QLLRUGRNZMPUIW-UHFFFAOYSA-N
Compound name
2-chloro-3-phenylmethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

101
Patents

219.04509 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.052366 144.2
[M+Na]+ 242.034308 153.4
[M-H]- 218.037814 149.4
[M+NH4]+ 237.078913 162.0
[M+K]+ 258.008248 148.5
[M+H-H2O]+ 202.042350 136.8
[M+HCOO]- 264.043291 163.5
[M+CH3COO]- 278.058941 157.4
[M+Na-2H]- 240.019756 152.2
[M]+ 219.04454142 146.9
[M]- 219.04563858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe