CID 70700604

5-bromo-2-chloro-3-methoxypyrazine

Structural Information

Molecular Formula
C5H4BrClN2O
SMILES
COC1=NC(=CN=C1Cl)Br
InChI
InChI=1S/C5H4BrClN2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3
InChIKey
FXXJHKPFEKHKHZ-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3-methoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

221.91956 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.92684 128.6
[M+Na]+ 244.90878 143.6
[M-H]- 220.91228 133.0
[M+NH4]+ 239.95338 149.5
[M+K]+ 260.88272 132.0
[M+H-H2O]+ 204.91682 129.0
[M+HCOO]- 266.91776 145.3
[M+CH3COO]- 280.93341 183.3
[M+Na-2H]- 242.89423 138.6
[M]+ 221.91901 150.5
[M]- 221.92011 150.5
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