CID 22329522

4-bromo-3-cyanopyridine

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

228
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 130.3
[M+Na]+ 204.93719 135.3
[M+NH4]+ 199.98179 133.1
[M+K]+ 220.91113 131.7
[M-H]- 180.94069 125.0
[M+Na-2H]- 202.92264 133.3
[M]+ 181.94742 127.8
[M]- 181.94852 127.8
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