CID 22030176

3-amino-5-bromopicolinonitrile

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

163
Patents

196.95886 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.966136 127.9
[M+Na]+ 219.948078 141.9
[M-H]- 195.951584 131.1
[M+NH4]+ 214.992683 146.9
[M+K]+ 235.922018 130.7
[M+H-H2O]+ 179.956120 120.4
[M+HCOO]- 241.957061 148.4
[M+CH3COO]- 255.972711 194.8
[M+Na-2H]- 217.933526 136.0
[M]+ 196.95831142 138.1
[M]- 196.95940858 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