CID 22906331

71702-01-7

Structural Information

Molecular Formula
C6H2BrClN2
SMILES
C1=C(C=NC(=C1Br)Cl)C#N
InChI
InChI=1S/C6H2BrClN2/c7-5-1-4(2-9)3-10-6(5)8/h1,3H
InChIKey
CYXYTFFWGHLPJE-UHFFFAOYSA-N
Compound name
5-bromo-6-chloropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

215.909 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.916276 127.3
[M+Na]+ 238.898218 143.4
[M-H]- 214.901724 131.1
[M+NH4]+ 233.942823 147.2
[M+K]+ 254.872158 130.7
[M+H-H2O]+ 198.906260 121.3
[M+HCOO]- 260.907201 143.9
[M+CH3COO]- 274.922851 194.6
[M+Na-2H]- 236.883666 136.1
[M]+ 215.90845142 140.8
[M]- 215.90954858 140.8
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

patents stripe