CID 24213892

5-amino-6-bromo-2-pyridinecarbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

196.95886 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96614 127.9
[M+Na]+ 219.94808 141.9
[M-H]- 195.95158 131.1
[M+NH4]+ 214.99268 146.9
[M+K]+ 235.92202 130.7
[M+H-H2O]+ 179.95612 120.4
[M+HCOO]- 241.95706 148.4
[M+CH3COO]- 255.97271 194.8
[M+Na-2H]- 217.93353 136.0
[M]+ 196.95831 138.1
[M]- 196.95941 138.1
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