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

229
Patents

181.94797 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

patents stripe