CID 37818722

2-bromo-5-cyanopyrazine

Structural Information

Molecular Formula
C5H2BrN3
SMILES
C1=C(N=CC(=N1)Br)C#N
InChI
InChI=1S/C5H2BrN3/c6-5-3-8-4(1-7)2-9-5/h2-3H
InChIKey
ZPBNABIKZKTQQH-UHFFFAOYSA-N
Compound name
5-bromopyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

403
Patents

182.9432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.950476 119.5
[M+Na]+ 205.932418 133.8
[M-H]- 181.935924 121.6
[M+NH4]+ 200.977023 138.1
[M+K]+ 221.906358 123.5
[M+H-H2O]+ 165.940460 112.0
[M+HCOO]- 227.941401 139.0
[M+CH3COO]- 241.957051 190.2
[M+Na-2H]- 203.917866 129.8
[M]+ 182.94265142 131.2
[M]- 182.94374858 131.2
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