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 130.8
[M+Na]+ 252.91386 147.4
[M-H]- 228.91736 134.8
[M+NH4]+ 247.95846 150.6
[M+K]+ 268.88780 134.5
[M+H-H2O]+ 212.92190 124.9
[M+HCOO]- 274.92284 147.1
[M+CH3COO]- 288.93849 198.0
[M+Na-2H]- 250.89931 138.6
[M]+ 229.92409 145.0
[M]- 229.92519 145.0
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.