CID 118991801

2-bromo-5-(bromomethyl)pyrazine

Structural Information

Molecular Formula
C5H4Br2N2
SMILES
C1=C(N=CC(=N1)Br)CBr
InChI
InChI=1S/C5H4Br2N2/c6-1-4-2-9-5(7)3-8-4/h2-3H,1H2
InChIKey
OIUHGRNWMIPDEV-UHFFFAOYSA-N
Compound name
2-bromo-5-(bromomethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

249.87411 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.881386 123.1
[M+Na]+ 272.863328 135.2
[M-H]- 248.866834 128.2
[M+NH4]+ 267.907933 142.1
[M+K]+ 288.837268 120.5
[M+H-H2O]+ 232.871370 131.5
[M+HCOO]- 294.872311 139.2
[M+CH3COO]- 308.887961 195.8
[M+Na-2H]- 270.848776 133.7
[M]+ 249.87356142 157.3
[M]- 249.87465858 157.3
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