CID 71463842

2-bromo-5-chloro-3-methylpyrazine

Structural Information

Molecular Formula
C5H4BrClN2
SMILES
CC1=NC(=CN=C1Br)Cl
InChI
InChI=1S/C5H4BrClN2/c1-3-5(6)8-2-4(7)9-3/h2H,1H3
InChIKey
DDXSLISYCFTQCY-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-3-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

205.92464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.93192 131.5
[M+Na]+ 228.91386 137.5
[M+NH4]+ 223.95846 137.1
[M+K]+ 244.88780 136.5
[M-H]- 204.91736 131.9
[M+Na-2H]- 226.89931 136.5
[M]+ 205.92409 131.7
[M]- 205.92519 131.7
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