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]+ 166.066266 130.6
[M+Na]+ 188.048208 139.2
[M-H]- 164.051714 131.1
[M+NH4]+ 183.092813 150.4
[M+K]+ 204.022148 135.3
[M+H-H2O]+ 148.056250 123.7
[M+HCOO]- 210.057191 148.8
[M+CH3COO]- 224.072841 175.5
[M+Na-2H]- 186.033656 137.7
[M]+ 165.05844142 125.5
[M]- 165.05953858 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.