CID 86811266

5-bromo-4-chloropyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H2BrClN2
SMILES
C1=C(N=CC(=C1Cl)Br)C#N
InChI
InChI=1S/C6H2BrClN2/c7-5-3-10-4(2-9)1-6(5)8/h1,3H
InChIKey
TXTOPSRIDSCHBU-UHFFFAOYSA-N
Compound name
5-bromo-4-chloropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

215.909 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.91628 133.7
[M+Na]+ 238.89822 139.5
[M+NH4]+ 233.94282 136.6
[M+K]+ 254.87216 135.5
[M-H]- 214.90172 128.4
[M+Na-2H]- 236.88367 136.6
[M]+ 215.90845 131.6
[M]- 215.90955 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.