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

40
Patents

249.87411 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.88139 123.1
[M+Na]+ 272.86333 135.2
[M-H]- 248.86683 128.2
[M+NH4]+ 267.90793 142.1
[M+K]+ 288.83727 120.5
[M+H-H2O]+ 232.87137 131.5
[M+HCOO]- 294.87231 139.2
[M+CH3COO]- 308.88796 195.8
[M+Na-2H]- 270.84878 133.7
[M]+ 249.87356 157.3
[M]- 249.87466 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