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 132.7
[M+Na]+ 200.04821 143.1
[M-H]- 176.05171 135.2
[M+NH4]+ 195.09281 153.0
[M+K]+ 216.02215 140.1
[M+H-H2O]+ 160.05625 125.2
[M+HCOO]- 222.05719 154.7
[M+CH3COO]- 236.07284 181.4
[M+Na-2H]- 198.03366 141.7
[M]+ 177.05844 133.4
[M]- 177.05954 133.4
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.