CID 130749452

3-bromo-2-chloropyridine-4-carbonitrile

Structural Information

Molecular Formula
C6H2BrClN2
SMILES
C1=CN=C(C(=C1C#N)Br)Cl
InChI
InChI=1S/C6H2BrClN2/c7-5-4(3-9)1-2-10-6(5)8/h1-2H
InChIKey
LYOQFCKDQDAMHU-UHFFFAOYSA-N
Compound name
3-bromo-2-chloropyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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.