CID 21948269

5-bromo-2-chloronicotinonitrile

Structural Information

Molecular Formula
C6H2BrClN2
SMILES
C1=C(C=NC(=C1C#N)Cl)Br
InChI
InChI=1S/C6H2BrClN2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H
InChIKey
MQOHJAYYYVQBSH-UHFFFAOYSA-N
Compound name
5-bromo-2-chloropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

470
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

literature stripe

Patent stripe

patents stripe