CID 11746165

2-(benzyloxy)-6-chloropyrazine

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
C1=CC=C(C=C1)COC2=CN=CC(=N2)Cl
InChI
InChI=1S/C11H9ClN2O/c12-10-6-13-7-11(14-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
AOYRICZDNURREY-UHFFFAOYSA-N
Compound name
2-chloro-6-phenylmethoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

220.04034 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 143.9
[M+Na]+ 243.02956 153.4
[M-H]- 219.03306 147.6
[M+NH4]+ 238.07416 160.1
[M+K]+ 259.00350 148.6
[M+H-H2O]+ 203.03760 135.5
[M+HCOO]- 265.03854 162.0
[M+CH3COO]- 279.05419 156.7
[M+Na-2H]- 241.01501 152.5
[M]+ 220.03979 146.6
[M]- 220.04089 146.6
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