CID 84696321

7-bromoisoquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H5BrN2
SMILES
C1=CC(=CC2=CN=C(C=C21)C#N)Br
InChI
InChI=1S/C10H5BrN2/c11-9-2-1-7-4-10(5-12)13-6-8(7)3-9/h1-4,6H
InChIKey
JALNEVJTSZYVNA-UHFFFAOYSA-N
Compound name
7-bromoisoquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.96361 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97089 143.1
[M+Na]+ 254.95283 149.1
[M+NH4]+ 249.99743 146.3
[M+K]+ 270.92677 144.4
[M-H]- 230.95633 138.5
[M+Na-2H]- 252.93828 146.0
[M]+ 231.96306 141.0
[M]- 231.96416 141.0
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

No patent data available for this compound.