CID 11151182

5-bromo-2-iodo-3-methoxypyrazine

Structural Information

Molecular Formula
C5H4BrIN2O
SMILES
COC1=NC(=CN=C1I)Br
InChI
InChI=1S/C5H4BrIN2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3
InChIKey
NUOPFUYHRPYSNY-UHFFFAOYSA-N
Compound name
5-bromo-2-iodo-3-methoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

313.85516 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.862436 135.3
[M+Na]+ 336.844378 142.0
[M-H]- 312.847884 133.1
[M+NH4]+ 331.888983 151.0
[M+K]+ 352.818318 137.9
[M+H-H2O]+ 296.852420 131.3
[M+HCOO]- 358.853361 151.5
[M+CH3COO]- 372.869011 190.5
[M+Na-2H]- 334.829826 133.7
[M]+ 313.85461142 152.1
[M]- 313.85570858 152.1
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