CID 131357881

5-bromo-6-chloro-3-methylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H4BrClN2
SMILES
CC1=CC(=C(N=C1C#N)Cl)Br
InChI
InChI=1S/C7H4BrClN2/c1-4-2-5(8)7(9)11-6(4)3-10/h2H,1H3
InChIKey
IQLGXAKGPQSDKO-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-3-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.92464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.93192 136.6
[M+Na]+ 252.91386 142.6
[M+NH4]+ 247.95846 139.4
[M+K]+ 268.88780 138.5
[M-H]- 228.91736 131.4
[M+Na-2H]- 250.89931 139.2
[M]+ 229.92409 134.6
[M]- 229.92519 134.6
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.

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No patent data available for this compound.