CID 58303386

3,5-dibromo-2-methoxypyrazine

Structural Information

Molecular Formula
C5H4Br2N2O
SMILES
COC1=NC=C(N=C1Br)Br
InChI
InChI=1S/C5H4Br2N2O/c1-10-5-4(7)9-3(6)2-8-5/h2H,1H3
InChIKey
DODAPRNRDPTFIT-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-methoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

265.86905 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.87633 124.6
[M+Na]+ 288.85827 137.3
[M-H]- 264.86177 130.0
[M+NH4]+ 283.90287 143.3
[M+K]+ 304.83221 122.8
[M+H-H2O]+ 248.86631 132.8
[M+HCOO]- 310.86725 140.8
[M+CH3COO]- 324.88290 198.1
[M+Na-2H]- 286.84372 134.7
[M]+ 265.86850 160.2
[M]- 265.86960 160.2
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