CID 84062077

8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-one

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1C2=C(CNC1=O)C(=CC=C2)F
InChI
InChI=1S/C9H8FNO/c10-8-3-1-2-6-4-9(12)11-5-7(6)8/h1-3H,4-5H2,(H,11,12)
InChIKey
MGRSRFMOTVPPDX-UHFFFAOYSA-N
Compound name
8-fluoro-2,4-dihydro-1H-isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05899 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 130.6
[M+Na]+ 188.04821 139.2
[M-H]- 164.05171 131.1
[M+NH4]+ 183.09281 150.4
[M+K]+ 204.02215 135.3
[M+H-H2O]+ 148.05625 123.7
[M+HCOO]- 210.05719 148.8
[M+CH3COO]- 224.07284 175.5
[M+Na-2H]- 186.03366 137.7
[M]+ 165.05844 125.5
[M]- 165.05954 125.5
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.