CID 121218854

3-(benzyloxy)-5-bromo-2-chloropyrazine

Structural Information

Molecular Formula
C11H8BrClN2O
SMILES
C1=CC=C(C=C1)COC2=NC(=CN=C2Cl)Br
InChI
InChI=1S/C11H8BrClN2O/c12-9-6-14-10(13)11(15-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
KOIZNXMVTYAMMV-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3-phenylmethoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

297.95084 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.95812 150.6
[M+Na]+ 320.94006 164.0
[M-H]- 296.94356 157.4
[M+NH4]+ 315.98466 168.1
[M+K]+ 336.91400 151.1
[M+H-H2O]+ 280.94810 149.4
[M+HCOO]- 342.94904 166.7
[M+CH3COO]- 356.96469 165.2
[M+Na-2H]- 318.92551 159.7
[M]+ 297.95029 172.4
[M]- 297.95139 172.4
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

patents stripe