CID 817154

5-bromopyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H3BrN2
SMILES
C1=CC(=NC=C1Br)C#N
InChI
InChI=1S/C6H3BrN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
InChIKey
DMSHUVBQFSNBBL-UHFFFAOYSA-N
Compound name
5-bromopyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2232
Patents

181.94797 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.95525 122.5
[M+Na]+ 204.93719 136.9
[M-H]- 180.94069 126.1
[M+NH4]+ 199.98179 142.5
[M+K]+ 220.91113 126.0
[M+H-H2O]+ 164.94523 115.8
[M+HCOO]- 226.94617 143.0
[M+CH3COO]- 240.96182 190.4
[M+Na-2H]- 202.92264 132.2
[M]+ 181.94742 134.2
[M]- 181.94852 134.2
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