CID 92043020

4-fluoroisoquinolin-1-ol

Structural Information

Molecular Formula
C9H6FNO
SMILES
C1=CC=C2C(=C1)C(=CNC2=O)F
InChI
InChI=1S/C9H6FNO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h1-5H,(H,11,12)
InChIKey
XUTQWYYUPAMYGV-UHFFFAOYSA-N
Compound name
4-fluoro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

163.04333 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05061 129.6
[M+Na]+ 186.03255 144.1
[M+NH4]+ 181.07715 138.3
[M+K]+ 202.00649 136.9
[M-H]- 162.03605 130.7
[M+Na-2H]- 184.01800 137.1
[M]+ 163.04278 131.9
[M]- 163.04388 131.9
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