CID 87472205

6-bromo-4-chloronicotinonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 127.3
[M+Na]+ 238.89822 143.4
[M-H]- 214.90172 131.1
[M+NH4]+ 233.94282 147.2
[M+K]+ 254.87216 130.7
[M+H-H2O]+ 198.90626 121.3
[M+HCOO]- 260.90720 143.9
[M+CH3COO]- 274.92285 194.6
[M+Na-2H]- 236.88367 136.1
[M]+ 215.90845 140.8
[M]- 215.90955 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

No patent data available for this compound.