CID 45120167

850340-95-3

Structural Information

Molecular Formula
C9H6FNO2
SMILES
C1=CNC(=O)C2=CC(=C(C=C21)O)F
InChI
InChI=1S/C9H6FNO2/c10-7-4-6-5(3-8(7)12)1-2-11-9(6)13/h1-4,12H,(H,11,13)
InChIKey
UMMHPVHCEPFMFM-UHFFFAOYSA-N
Compound name
7-fluoro-6-hydroxy-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

179.03825 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.045526 131.4
[M+Na]+ 202.027468 142.6
[M-H]- 178.030974 131.7
[M+NH4]+ 197.072073 150.4
[M+K]+ 218.001408 137.9
[M+H-H2O]+ 162.035510 124.9
[M+HCOO]- 224.036451 151.1
[M+CH3COO]- 238.052101 175.7
[M+Na-2H]- 200.012916 139.3
[M]+ 179.03770142 129.2
[M]- 179.03879858 129.2
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

patents stripe