CID 69139

8-chloroquinoline

Structural Information

Molecular Formula
C9H6ClN
SMILES
C1=CC2=C(C(=C1)Cl)N=CC=C2
InChI
InChI=1S/C9H6ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey
RUSMDMDNFUYZTM-UHFFFAOYSA-N
Compound name
8-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1022
Patents

163.01888 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.02616 128.2
[M+Na]+ 186.00810 145.3
[M+NH4]+ 181.05270 139.3
[M+K]+ 201.98204 136.2
[M-H]- 162.01160 132.2
[M+Na-2H]- 183.99355 138.2
[M]+ 163.01833 132.3
[M]- 163.01943 132.3
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