CID 640954

8-chloroisoquinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

163.01888 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.