CID 24229199

2-amino-5-bromonicotinonitrile

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=C(C=NC(=C1C#N)N)Br
InChI
InChI=1S/C6H4BrN3/c7-5-1-4(2-8)6(9)10-3-5/h1,3H,(H2,9,10)
InChIKey
UJKZMLZIIIGCMI-UHFFFAOYSA-N
Compound name
2-amino-5-bromopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

372
Patents

196.95886 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96614 135.5
[M+Na]+ 219.94808 139.4
[M+NH4]+ 214.99268 137.6
[M+K]+ 235.92202 136.4
[M-H]- 195.95158 130.1
[M+Na-2H]- 217.93353 137.5
[M]+ 196.95831 132.7
[M]- 196.95941 132.7
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