CID 11276336

5-bromoquinoline-8-carbonitrile

Structural Information

Molecular Formula
C10H5BrN2
SMILES
C1=CC2=C(C=CC(=C2N=C1)C#N)Br
InChI
InChI=1S/C10H5BrN2/c11-9-4-3-7(6-12)10-8(9)2-1-5-13-10/h1-5H
InChIKey
DAYKHFAZOORREQ-UHFFFAOYSA-N
Compound name
5-bromoquinoline-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

325
Patents

231.96361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97089 138.6
[M+Na]+ 254.95283 153.7
[M-H]- 230.95633 142.7
[M+NH4]+ 249.99743 157.9
[M+K]+ 270.92677 140.6
[M+H-H2O]+ 214.96087 131.7
[M+HCOO]- 276.96181 157.8
[M+CH3COO]- 290.97746 152.5
[M+Na-2H]- 252.93828 148.1
[M]+ 231.96306 150.7
[M]- 231.96416 150.7
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