CID 75481557

2-(bromomethyl)-3,5-dichloropyrazine

Structural Information

Molecular Formula
C5H3BrCl2N2
SMILES
C1=C(N=C(C(=N1)CBr)Cl)Cl
InChI
InChI=1S/C5H3BrCl2N2/c6-1-3-5(8)10-4(7)2-9-3/h2H,1H2
InChIKey
PGCVPNXLBYCGBQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-3,5-dichloropyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.88567 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.89295 130.0
[M+Na]+ 262.87489 145.5
[M-H]- 238.87839 133.6
[M+NH4]+ 257.91949 150.6
[M+K]+ 278.84883 132.1
[M+H-H2O]+ 222.88293 130.9
[M+HCOO]- 284.88387 141.6
[M+CH3COO]- 298.89952 186.0
[M+Na-2H]- 260.86034 139.4
[M]+ 239.88512 151.1
[M]- 239.88622 151.1
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

No patent data available for this compound.