CID 17792611

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

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1CNC(=O)C2=C1C=CC(=C2)F
InChI
InChI=1S/C9H8FNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
InChIKey
YEFGFHFWYZFNDW-UHFFFAOYSA-N
Compound name
7-fluoro-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

165.05899 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe