CID 22329522

154237-70-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

181.94797 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.955246 122.5
[M+Na]+ 204.937188 136.9
[M-H]- 180.940694 126.1
[M+NH4]+ 199.981793 142.5
[M+K]+ 220.911128 126.0
[M+H-H2O]+ 164.945230 115.8
[M+HCOO]- 226.946171 143.0
[M+CH3COO]- 240.961821 190.4
[M+Na-2H]- 202.922636 132.2
[M]+ 181.94742142 134.2
[M]- 181.94851858 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

No literature data available for this compound.

Patent stripe

patents stripe