CID 82276346

1-chloro-8-fluoroisoquinoline

Structural Information

Molecular Formula
C9H5ClFN
SMILES
C1=CC2=C(C(=C1)F)C(=NC=C2)Cl
InChI
InChI=1S/C9H5ClFN/c10-9-8-6(4-5-12-9)2-1-3-7(8)11/h1-5H
InChIKey
HMKWSGMRTURSTN-UHFFFAOYSA-N
Compound name
1-chloro-8-fluoroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.00946 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01674 130.6
[M+Na]+ 203.99868 146.9
[M+NH4]+ 199.04328 140.8
[M+K]+ 219.97262 138.2
[M-H]- 180.00218 133.0
[M+Na-2H]- 201.98413 139.5
[M]+ 181.00891 134.0
[M]- 181.01001 134.0
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.