CID 10773701

7-amino-6-fluoro-3,4-dihydroisoquinolin-1(2h)-one

Structural Information

Molecular Formula
C9H9FN2O
SMILES
C1CNC(=O)C2=CC(=C(C=C21)F)N
InChI
InChI=1S/C9H9FN2O/c10-7-3-5-1-2-12-9(13)6(5)4-8(7)11/h3-4H,1-2,11H2,(H,12,13)
InChIKey
DIZIXEGXKKMGHF-UHFFFAOYSA-N
Compound name
7-amino-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

180.06989 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07717 135.1
[M+Na]+ 203.05911 143.9
[M-H]- 179.06261 135.4
[M+NH4]+ 198.10371 154.0
[M+K]+ 219.03305 139.6
[M+H-H2O]+ 163.06715 128.1
[M+HCOO]- 225.06809 153.6
[M+CH3COO]- 239.08374 181.1
[M+Na-2H]- 201.04456 140.8
[M]+ 180.06934 128.7
[M]- 180.07044 128.7
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