CID 45789629

2-bromo-6-cyanopyrazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

182.9432 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.95048 130.9
[M+Na]+ 205.93242 135.7
[M+NH4]+ 200.97702 133.0
[M+K]+ 221.90636 132.5
[M-H]- 181.93592 124.8
[M+Na-2H]- 203.91787 133.6
[M]+ 182.94265 128.1
[M]- 182.94375 128.1
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

patents stripe