CID 70701071

6-bromo-3-chloropyrazine-2-carbonitrile

Structural Information

Molecular Formula
C5HBrClN3
SMILES
C1=C(N=C(C(=N1)Cl)C#N)Br
InChI
InChI=1S/C5HBrClN3/c6-4-2-9-5(7)3(1-8)10-4/h2H
InChIKey
FAOLIJWZYYNLRZ-UHFFFAOYSA-N
Compound name
6-bromo-3-chloropyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

216.90424 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.91152 124.1
[M+Na]+ 239.89346 140.2
[M-H]- 215.89696 126.4
[M+NH4]+ 234.93806 142.7
[M+K]+ 255.86740 128.0
[M+H-H2O]+ 199.90150 117.3
[M+HCOO]- 261.90244 139.7
[M+CH3COO]- 275.91809 194.3
[M+Na-2H]- 237.87891 133.5
[M]+ 216.90369 137.6
[M]- 216.90479 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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