CID 145901417

5-fluoro-8-methoxyisoquinoline

Structural Information

Molecular Formula
C10H8FNO
SMILES
COC1=C2C=NC=CC2=C(C=C1)F
InChI
InChI=1S/C10H8FNO/c1-13-10-3-2-9(11)7-4-5-12-6-8(7)10/h2-6H,1H3
InChIKey
VQCGNAXINYCUMB-UHFFFAOYSA-N
Compound name
5-fluoro-8-methoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05899 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06627 134.3
[M+Na]+ 200.04821 149.1
[M+NH4]+ 195.09281 143.5
[M+K]+ 216.02215 141.5
[M-H]- 176.05171 136.1
[M+Na-2H]- 198.03366 142.3
[M]+ 177.05844 137.0
[M]- 177.05954 137.0
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.