CID 165939094

5-bromo-6-chloro-4-methylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H4BrClN2
SMILES
CC1=CC(=NC(=C1Br)Cl)C#N
InChI
InChI=1S/C7H4BrClN2/c1-4-2-5(3-10)11-7(9)6(4)8/h2H,1H3
InChIKey
BTBGUURTZHVFSI-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-4-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.

Patent stripe

No patent data available for this compound.