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

5
Patents

179.03825 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04553 131.4
[M+Na]+ 202.02747 142.6
[M-H]- 178.03097 131.7
[M+NH4]+ 197.07207 150.4
[M+K]+ 218.00141 137.9
[M+H-H2O]+ 162.03551 124.9
[M+HCOO]- 224.03645 151.1
[M+CH3COO]- 238.05210 175.7
[M+Na-2H]- 200.01292 139.3
[M]+ 179.03770 129.2
[M]- 179.03880 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