CID 22030176

3-amino-5-bromopyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=C(C=NC(=C1N)C#N)Br
InChI
InChI=1S/C6H4BrN3/c7-4-1-5(9)6(2-8)10-3-4/h1,3H,9H2
InChIKey
WDKOOTHLXCMQGH-UHFFFAOYSA-N
Compound name
3-amino-5-bromopyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
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

No literature data available for this compound.

Patent stripe

patents stripe