CID 71627137

2,5-dibromo-3-chloropyrazine

Structural Information

Molecular Formula
C4HBr2ClN2
SMILES
C1=C(N=C(C(=N1)Br)Cl)Br
InChI
InChI=1S/C4HBr2ClN2/c5-2-1-8-3(6)4(7)9-2/h1H
InChIKey
NACQYBDFEPOOQF-UHFFFAOYSA-N
Compound name
2,5-dibromo-3-chloropyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

269.8195 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.826776 122.9
[M+Na]+ 292.808718 137.1
[M-H]- 268.812224 128.4
[M+NH4]+ 287.853323 142.3
[M+K]+ 308.782658 120.8
[M+H-H2O]+ 252.816760 131.9
[M+HCOO]- 314.817701 135.6
[M+CH3COO]- 328.833351 197.3
[M+Na-2H]- 290.794166 133.2
[M]+ 269.81895142 158.4
[M]- 269.82004858 158.4
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